[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol

C11H16FNO — CID 130731463

IUPAC[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol
SMILESCC(C)[C@H](N)c1ccc(F)cc1CO
InChIInChI=1S/C11H16FNO/c1-7(2)11(13)10-4-3-9(12)5-8(10)6-14/h3-5,7,11,14H,6,13H2,1-2H3/t11-/m0/s1
InChIKeyRJLBWUCWYCZESA-NSHDSACASA-N
MW197.25 g/mol
LogP1.97
Rot. Bonds3

About [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol

[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol (PubChem CID 130731463) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol
PubChem CID130731463
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol
SMILESCC(C)[C@H](N)c1ccc(F)cc1CO
InChIInChI=1S/C11H16FNO/c1-7(2)11(13)10-4-3-9(12)5-8(10)6-14/h3-5,7,11,14H,6,13H2,1-2H3/t11-/m0/s1
InChIKeyRJLBWUCWYCZESA-NSHDSACASA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-fluoro-2-(hydroxymethyl)phenyl]-2,2-dimethylbutanamide
CID 67574520
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
CID 162344478
4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
methyl 3-[4-fluoro-2-(hydroxymethyl)phenyl]-2,3-dihydroxypropanoate
CID 171863951
2-[(1S)-1-amino-2-methylpropyl]-5-fluorobenzonitrile
CID 130703506
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387
[2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol
CID 142148919
1-[4-fluoro-2-(hydroxymethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890106

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol?
The IUPAC name of [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol (CID 130731463) is [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol is CC(C)[C@H](N)c1ccc(F)cc1CO.
What is the InChIKey of [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol?
The InChIKey is RJLBWUCWYCZESA-NSHDSACASA-N. The full InChI is InChI=1S/C11H16FNO/c1-7(2)11(13)10-4-3-9(12)5-8(10)6-14/h3-5,7,11,14H,6,13H2,1-2H3/t11-/m0/s1.
What are the key properties of [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol?
[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol has a molecular weight of 197.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol is sourced from PubChem (CID 130731463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).