2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol

C12H18ClNO — CID 83931466

IUPAC2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(CC(CN)CO)cc1C
InChIInChI=1S/C12H18ClNO/c1-8-3-11(5-10(6-14)7-15)12(13)4-9(8)2/h3-4,10,15H,5-7,14H2,1-2H3
InChIKeyGYRALCKXXRXXNY-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.07
Rot. Bonds4

About 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol

2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol (PubChem CID 83931466) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol
PubChem CID83931466
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(CC(CN)CO)cc1C
InChIInChI=1S/C12H18ClNO/c1-8-3-11(5-10(6-14)7-15)12(13)4-9(8)2/h3-4,10,15H,5-7,14H2,1-2H3
InChIKeyGYRALCKXXRXXNY-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol (CID 83931466) is 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol is Cc1cc(Cl)c(CC(CN)CO)cc1C.
What is the InChIKey of 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol?
The InChIKey is GYRALCKXXRXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8-3-11(5-10(6-14)7-15)12(13)4-9(8)2/h3-4,10,15H,5-7,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol?
2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol has a molecular weight of 227.73 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 83931466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).