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

C14H16ClNOS — CID 79807640

IUPAC3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1ccccc1Cl
InChIInChI=1S/C14H16ClNOS/c1-9-7-18-8-12(9)14(17)11(6-16)10-4-2-3-5-13(10)15/h2-5,7-8,11,14,17H,6,16H2,1H3
InChIKeyJZQSQPDBKDPHEZ-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.49
Rot. Bonds4

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

3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol (PubChem CID 79807640) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
PubChem CID79807640
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1ccccc1Cl
InChIInChI=1S/C14H16ClNOS/c1-9-7-18-8-12(9)14(17)11(6-16)10-4-2-3-5-13(10)15/h2-5,7-8,11,14,17H,6,16H2,1H3
InChIKeyJZQSQPDBKDPHEZ-UHFFFAOYSA-N
XLogP3.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)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

3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808679
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 107984150
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 80525924
3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol
CID 65238078
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376
3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol
CID 106690371
3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
CID 114031467
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol (CID 79807640) is 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol is Cc1cscc1C(O)C(CN)c1ccccc1Cl.
What is the InChIKey of 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The InChIKey is JZQSQPDBKDPHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-9-7-18-8-12(9)14(17)11(6-16)10-4-2-3-5-13(10)15/h2-5,7-8,11,14,17H,6,16H2,1H3.
What are the key properties of 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol has a molecular weight of 281.81 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 79807640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).