4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol

C11H16FNO — CID 82398888

IUPAC4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
SMILESCc1cc(CC(O)CCN)ccc1F
InChIInChI=1S/C11H16FNO/c1-8-6-9(2-3-11(8)12)7-10(14)4-5-13/h2-3,6,10,14H,4-5,7,13H2,1H3
InChIKeyPWZAFGRASPHYND-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.39
Rot. Bonds4

About 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol

4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol (PubChem CID 82398888) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
PubChem CID82398888
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
SMILESCc1cc(CC(O)CCN)ccc1F
InChIInChI=1S/C11H16FNO/c1-8-6-9(2-3-11(8)12)7-10(14)4-5-13/h2-3,6,10,14H,4-5,7,13H2,1H3
InChIKeyPWZAFGRASPHYND-UHFFFAOYSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
2-[(4-fluoro-3-methylphenyl)methyl]propanedioic acid
CID 170895434
4-amino-1-(3-ethylphenyl)butan-2-ol
CID 70653486
1-fluoro-2-methyl-4-(2-methylpentyl)benzene
CID 143267587
(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184
methyl 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)propanoate
CID 62121590
1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
CID 62122108
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol?
The IUPAC name of 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol (CID 82398888) is 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol is Cc1cc(CC(O)CCN)ccc1F.
What is the InChIKey of 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol?
The InChIKey is PWZAFGRASPHYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-6-9(2-3-11(8)12)7-10(14)4-5-13/h2-3,6,10,14H,4-5,7,13H2,1H3.
What are the key properties of 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol?
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol is sourced from PubChem (CID 82398888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).