1-(2-amino-4-chloroanilino)propan-2-ol

C9H13ClN2O — CID 15932693

IUPAC1-(2-amino-4-chloroanilino)propan-2-ol
SMILESCC(O)CNc1ccc(Cl)cc1N
InChIInChI=1S/C9H13ClN2O/c1-6(13)5-12-9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5,11H2,1H3
InChIKeyMJYSHNTUNYAZAD-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.71
Rot. Bonds3

About 1-(2-amino-4-chloroanilino)propan-2-ol

1-(2-amino-4-chloroanilino)propan-2-ol (PubChem CID 15932693) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(2-amino-4-chloroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-chloroanilino)propan-2-ol
PubChem CID15932693
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-(2-amino-4-chloroanilino)propan-2-ol
SMILESCC(O)CNc1ccc(Cl)cc1N
InChIInChI=1S/C9H13ClN2O/c1-6(13)5-12-9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5,11H2,1H3
InChIKeyMJYSHNTUNYAZAD-UHFFFAOYSA-N
XLogP1.71
TPSA58.28 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 ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-chloroanilino)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

3-(2-amino-4-chloroanilino)propane-1,2-diol
CID 66176123
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
5-chloro-2-(2-hydroxypropylamino)benzonitrile
CID 62493477
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile
CID 95011182
5-(2-amino-4-chloroanilino)-2-methylpentan-1-ol
CID 106154375
1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol
CID 107151018
4-chloro-2-N-(2,3-dimethylbutyl)benzene-1,2-diamine
CID 115469039
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811
5-(2-amino-4-chloroanilino)pentan-1-ol
CID 107316433

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chloroanilino)propan-2-ol?
The IUPAC name of 1-(2-amino-4-chloroanilino)propan-2-ol (CID 15932693) is 1-(2-amino-4-chloroanilino)propan-2-ol.
What is the SMILES notation for 1-(2-amino-4-chloroanilino)propan-2-ol?
The canonical SMILES for 1-(2-amino-4-chloroanilino)propan-2-ol is CC(O)CNc1ccc(Cl)cc1N.
What is the InChIKey of 1-(2-amino-4-chloroanilino)propan-2-ol?
The InChIKey is MJYSHNTUNYAZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6(13)5-12-9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5,11H2,1H3.
What are the key properties of 1-(2-amino-4-chloroanilino)propan-2-ol?
1-(2-amino-4-chloroanilino)propan-2-ol has a molecular weight of 200.67 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chloroanilino)propan-2-ol is sourced from PubChem (CID 15932693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).