3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol

C9H13ClN2O — CID 105453264

IUPAC3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
SMILESNCCC(O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H13ClN2O/c10-6-1-2-7(8(12)5-6)9(13)3-4-11/h1-2,5,9,13H,3-4,11-12H2
InChIKeyDDOHEEFXCYQIEP-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol

3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol (PubChem CID 105453264) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
PubChem CID105453264
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
SMILESNCCC(O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H13ClN2O/c10-6-1-2-7(8(12)5-6)9(13)3-4-11/h1-2,5,9,13H,3-4,11-12H2
InChIKeyDDOHEEFXCYQIEP-UHFFFAOYSA-N
XLogP1.30
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-1-(2-amino-4-chlorophenyl)propan-1-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

1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol
CID 64916015
1-(2-amino-4-chlorophenyl)ethane-1,2-diamine
CID 55270734
1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 64916180
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445879
5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline
CID 105224018
3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
CID 84788316
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819
4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877376
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol (CID 105453264) is 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol is NCCC(O)c1ccc(Cl)cc1N.
What is the InChIKey of 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol?
The InChIKey is DDOHEEFXCYQIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-6-1-2-7(8(12)5-6)9(13)3-4-11/h1-2,5,9,13H,3-4,11-12H2.
What are the key properties of 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol?
3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 105453264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).