Clorgyline
PubChem CID: 4380
Connections displayed (default: 10).
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| Compound Synonyms | Clorgiline, CLORGYLINE, 17780-72-2, Chlorgyline, Clorgilina, Clorgilinum, Clorgiline [INN], M and B 9302, Clorgilinum [INN-Latin], Clorgilina [INN-Spanish], n-methyl-n-propargyl-3-(2,4-dichlorophenoxy)propylamine, M & B 9302, Clorgiline (INN), M&B 9302, N-(3-(2,4-Dichlorophenoxy)propyl)-N-methyl-2-propynylamine, UNII-LYJ16FZU9Q, BRN 1976758, CHEBI:3763, Clorgiline [INN:BAN], LYJ16FZU9Q, N-(3-(2,4-dichlorophenoxy)propyl)-N-methylprop-2-yn-1-amine, CHEMBL8706, Clorgilin, DTXSID3048445, N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine, 2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-, M&B-9302, 2-Propynylamine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-, Clorgilinum (INN-Latin), Clorgilina (INN-Spanish), 2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl- (9CI), CAS-17780-75-5, 3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine, Prestwick0_000344, Prestwick1_000344, Prestwick2_000344, Prestwick3_000344, Lopac-M-3778, Lopac0_000746, SCHEMBL61914, BSPBio_000407, US8633208, Clorgyline, SPBio_002328, BPBio1_000449, GTPL6636, DTXCID9028419, BDBM15581, EX-A10906, CCG-204831, DB04017, SDCCGSBI-0050724.P003, NCGC00015669-01, NCGC00015669-02, NCGC00015669-03, NCGC00015669-04, NCGC00015669-11, NCGC00162235-01, AS-85980, HY-14197, SBI-0050724.P002, DB-266520, CS-0002917, NS00071662, D03248, L001342, Q2889652, BRD-K73251053-003-03-2, BRD-K73251053-003-13-1, BRD-K73251053-003-21-4, BRD-K73251053-003-22-2, [3-(2,4-Dichloro-phenoxy)-propyl]-methyl-prop-2-ynyl-amine, [3-(2,4-dichlorophenoxy)propyl](methyl)prop-2-yn-1-ylamine, N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-2-propyn-1-amine, N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-prop-2-yn-1-amine, 3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynyl-propan-1-amine, CLG |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Target Id | NPT582, NPT261 |
| Xlogp | 4.2 |
| Is Pains | False |
| Molecular Formula | C13H15Cl2NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTFHLQRNAMSNLC-UHFFFAOYSA-N |
| Fcsp3 | 0.3846153846153846 |
| Rotatable Bond Count | 6.0 |
| Compound Name | Clorgyline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.053 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 271.053 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 272.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0260614705882345 |
| Inchi | InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 |
| Smiles | CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients