(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol

C13H20FNO — CID 97051735

IUPAC(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
SMILESCC[C@@H](O)CN[C@@H](C)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-4-12(16)8-15-10(3)11-6-5-9(2)13(14)7-11/h5-7,10,12,15-16H,4,8H2,1-3H3/t10-,12+/m0/s1
InChIKeyWCLJXSJKZPHZSH-CMPLNLGQSA-N
MW225.31 g/mol
LogP2.56
Rot. Bonds5

About (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol

(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol (PubChem CID 97051735) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
PubChem CID97051735
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
SMILESCC[C@@H](O)CN[C@@H](C)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-4-12(16)8-15-10(3)11-6-5-9(2)13(14)7-11/h5-7,10,12,15-16H,4,8H2,1-3H3/t10-,12+/m0/s1
InChIKeyWCLJXSJKZPHZSH-CMPLNLGQSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783024
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103716969
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine
CID 113368956
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
(2R)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906795
(2S)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906460
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol?
The IUPAC name of (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol (CID 97051735) is (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol?
The canonical SMILES for (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol is CC[C@@H](O)CN[C@@H](C)c1ccc(C)c(F)c1.
What is the InChIKey of (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol?
The InChIKey is WCLJXSJKZPHZSH-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-12(16)8-15-10(3)11-6-5-9(2)13(14)7-11/h5-7,10,12,15-16H,4,8H2,1-3H3/t10-,12+/m0/s1.
What are the key properties of (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol?
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol has a molecular weight of 225.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 97051735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).