3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol

C15H18ClNOS — CID 65238078

IUPAC3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCc1cc(C(O)C(CN)c2ccccc2Cl)sc1C
InChIInChI=1S/C15H18ClNOS/c1-9-7-14(19-10(9)2)15(18)12(8-17)11-5-3-4-6-13(11)16/h3-7,12,15,18H,8,17H2,1-2H3
InChIKeyGVKSKPBZFCKKBB-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.79
Rot. Bonds4

About 3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol

3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol (PubChem CID 65238078) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol
PubChem CID65238078
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCc1cc(C(O)C(CN)c2ccccc2Cl)sc1C
InChIInChI=1S/C15H18ClNOS/c1-9-7-14(19-10(9)2)15(18)12(8-17)11-5-3-4-6-13(11)16/h3-7,12,15,18H,8,17H2,1-2H3
InChIKeyGVKSKPBZFCKKBB-UHFFFAOYSA-N
XLogP3.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-methylthiophen-3-yl)propan-1-ol
CID 79807640
3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
CID 65185014
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 107984150
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-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65189446
3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol
CID 114552977
N-[(2-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115800915

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol (CID 65238078) is 3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol is Cc1cc(C(O)C(CN)c2ccccc2Cl)sc1C.
What is the InChIKey of 3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The InChIKey is GVKSKPBZFCKKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-9-7-14(19-10(9)2)15(18)12(8-17)11-5-3-4-6-13(11)16/h3-7,12,15,18H,8,17H2,1-2H3.
What are the key properties of 3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol?
3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol has a molecular weight of 295.84 g/mol, XLogP of 3.79, 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-(4,5-dimethylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65238078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).