3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol

C14H15ClFNOS — CID 65189446

IUPAC3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H15ClFNOS/c1-8-2-5-13(19-8)14(18)11(7-17)10-4-3-9(16)6-12(10)15/h2-6,11,14,18H,7,17H2,1H3
InChIKeyLVDHNRPVGDCZLT-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.62
Rot. Bonds4

About 3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol

3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol (PubChem CID 65189446) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
PubChem CID65189446
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H15ClFNOS/c1-8-2-5-13(19-8)14(18)11(7-17)10-4-3-9(16)6-12(10)15/h2-6,11,14,18H,7,17H2,1H3
InChIKeyLVDHNRPVGDCZLT-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2,4-dichlorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65185355
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65189585
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
CID 107981145
3-amino-1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65189681
3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65188011
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol
CID 65238078
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol (CID 65189446) is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol is Cc1ccc(C(O)C(CN)c2ccc(F)cc2Cl)s1.
What is the InChIKey of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol?
The InChIKey is LVDHNRPVGDCZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-8-2-5-13(19-8)14(18)11(7-17)10-4-3-9(16)6-12(10)15/h2-6,11,14,18H,7,17H2,1H3.
What are the key properties of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol?
3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol has a molecular weight of 299.80 g/mol, XLogP of 3.62, 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-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65189446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).