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

C14H16FNOS — CID 79808376

IUPAC3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H16FNOS/c1-9-7-18-8-13(9)14(17)12(6-16)10-2-4-11(15)5-3-10/h2-5,7-8,12,14,17H,6,16H2,1H3
InChIKeyVWZSHUOJSKYQQN-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.97
Rot. Bonds4

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

3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol (PubChem CID 79808376) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
PubChem CID79808376
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H16FNOS/c1-9-7-18-8-13(9)14(17)12(6-16)10-2-4-11(15)5-3-10/h2-5,7-8,12,14,17H,6,16H2,1H3
InChIKeyVWZSHUOJSKYQQN-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79807640
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
CID 65186538
3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 80525924
3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808679
3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185733
3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185223
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65185271
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol (CID 79808376) is 3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol is Cc1cscc1C(O)C(CN)c1ccc(F)cc1.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The InChIKey is VWZSHUOJSKYQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-9-7-18-8-13(9)14(17)12(6-16)10-2-4-11(15)5-3-10/h2-5,7-8,12,14,17H,6,16H2,1H3.
What are the key properties of 3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 79808376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).