(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol

C11H16FNO — CID 130706389

IUPAC(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol
SMILESCc1cc(F)cc([C@@](C)(N)CCO)c1
InChIInChI=1S/C11H16FNO/c1-8-5-9(7-10(12)6-8)11(2,13)3-4-14/h5-7,14H,3-4,13H2,1-2H3/t11-/m0/s1
InChIKeyWNVZVKPOIRWRIT-NSHDSACASA-N
MW197.25 g/mol
LogP1.69
Rot. Bonds3

About (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol

(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol (PubChem CID 130706389) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol
PubChem CID130706389
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol
SMILESCc1cc(F)cc([C@@](C)(N)CCO)c1
InChIInChI=1S/C11H16FNO/c1-8-5-9(7-10(12)6-8)11(2,13)3-4-14/h5-7,14H,3-4,13H2,1-2H3/t11-/m0/s1
InChIKeyWNVZVKPOIRWRIT-NSHDSACASA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(3,5-dimethylphenyl)butan-1-ol
CID 131048662
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
CID 130775708
1-amino-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704426
3-amino-3-(3,4-dimethylphenyl)butan-1-ol
CID 65239742
(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
CID 130657350
2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol
CID 115401195
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol
CID 59250866
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 79704554
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
CID 79692026
2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid
CID 117049901

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol?
The IUPAC name of (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol (CID 130706389) is (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol is Cc1cc(F)cc([C@@](C)(N)CCO)c1.
What is the InChIKey of (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol?
The InChIKey is WNVZVKPOIRWRIT-NSHDSACASA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-5-9(7-10(12)6-8)11(2,13)3-4-14/h5-7,14H,3-4,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol?
(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol is sourced from PubChem (CID 130706389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).