3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol

C14H16ClNOS — CID 80642172

IUPAC3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)C(O)c2sccc2Cl)c1
InChIInChI=1S/C14H16ClNOS/c1-9-3-2-4-10(7-9)11(8-16)13(17)14-12(15)5-6-18-14/h2-7,11,13,17H,8,16H2,1H3
InChIKeyQZLPYMBATXWHDC-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.49
Rot. Bonds4

About 3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol

3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 80642172) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
PubChem CID80642172
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)C(O)c2sccc2Cl)c1
InChIInChI=1S/C14H16ClNOS/c1-9-3-2-4-10(7-9)11(8-16)13(17)14-12(15)5-6-18-14/h2-7,11,13,17H,8,16H2,1H3
InChIKeyQZLPYMBATXWHDC-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

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Related Compounds

3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 80641548
3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 80641792
3-amino-1-(3-chloro-4-methylthiophen-2-yl)-2-(3-chlorophenyl)propan-1-ol
CID 103406591
3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
CID 65184520
3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol
CID 103406638
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843
3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190498
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188105
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789
3-amino-1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65189963
2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 80642659

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol (CID 80642172) is 3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CN)C(O)c2sccc2Cl)c1.
What is the InChIKey of 3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is QZLPYMBATXWHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-9-3-2-4-10(7-9)11(8-16)13(17)14-12(15)5-6-18-14/h2-7,11,13,17H,8,16H2,1H3.
What are the key properties of 3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol?
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)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-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 80642172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).