1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol

C15H18FNOS — CID 111440507

IUPAC1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
SMILESCc1ccc(F)c(CNCC(C)(O)c2cccs2)c1
InChIInChI=1S/C15H18FNOS/c1-11-5-6-13(16)12(8-11)9-17-10-15(2,18)14-4-3-7-19-14/h3-8,17-18H,9-10H2,1-2H3
InChIKeyBLXWGDDFKACHQP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.19
Rot. Bonds5

About 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol

1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 111440507) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
PubChem CID111440507
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
SMILESCc1ccc(F)c(CNCC(C)(O)c2cccs2)c1
InChIInChI=1S/C15H18FNOS/c1-11-5-6-13(16)12(8-11)9-17-10-15(2,18)14-4-3-7-19-14/h3-8,17-18H,9-10H2,1-2H3
InChIKeyBLXWGDDFKACHQP-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114842503
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
2-[[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methyl]-5-methoxyphenol
CID 111440552
1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220635
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
CID 112501508
1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol
CID 111440624
4-[[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methyl]benzonitrile
CID 111440639
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440570
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 71782404
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol (CID 111440507) is 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol is Cc1ccc(F)c(CNCC(C)(O)c2cccs2)c1.
What is the InChIKey of 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is BLXWGDDFKACHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-11-5-6-13(16)12(8-11)9-17-10-15(2,18)14-4-3-7-19-14/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol?
1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 111440507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).