1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol

C12H19ClN2O — CID 62333644

IUPAC1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(CN)c1ccccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-9(16)8-15(2)12(7-14)10-5-3-4-6-11(10)13/h3-6,9,12,16H,7-8,14H2,1-2H3
InChIKeyOQDPXAJJMPWMEU-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.65
Rot. Bonds5

About 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol

1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol (PubChem CID 62333644) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
PubChem CID62333644
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(CN)c1ccccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-9(16)8-15(2)12(7-14)10-5-3-4-6-11(10)13/h3-6,9,12,16H,7-8,14H2,1-2H3
InChIKeyOQDPXAJJMPWMEU-UHFFFAOYSA-N
XLogP1.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
CID 107198381
1-(2-chlorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657428
2-N-[2-amino-1-(2-chlorophenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187856
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013227
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 62980189
N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine
CID 82042176
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol
CID 62779714
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol (CID 62333644) is 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol is CC(O)CN(C)C(CN)c1ccccc1Cl.
What is the InChIKey of 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol?
The InChIKey is OQDPXAJJMPWMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-9(16)8-15(2)12(7-14)10-5-3-4-6-11(10)13/h3-6,9,12,16H,7-8,14H2,1-2H3.
What are the key properties of 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol?
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62333644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).