2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol

C11H16FNO — CID 82282052

IUPAC2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-7(2)10(13)11(14)8-4-3-5-9(12)6-8/h3-7,10-11,14H,13H2,1-2H3
InChIKeyGOAVAFWJCWHVFG-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.84
Rot. Bonds3

About 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol

2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol (PubChem CID 82282052) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol
PubChem CID82282052
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-7(2)10(13)11(14)8-4-3-5-9(12)6-8/h3-7,10-11,14H,13H2,1-2H3
InChIKeyGOAVAFWJCWHVFG-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol 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

(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171161576
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
CID 122372146
(1R,2S)-1-amino-1-(3-fluorophenyl)-4-methylpentan-2-ol
CID 171160142
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375
4-(3-fluorophenyl)pentan-2-amine
CID 64719405
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol (CID 82282052) is 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol is CC(C)C(N)C(O)c1cccc(F)c1.
What is the InChIKey of 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol?
The InChIKey is GOAVAFWJCWHVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7(2)10(13)11(14)8-4-3-5-9(12)6-8/h3-7,10-11,14H,13H2,1-2H3.
What are the key properties of 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol?
2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82282052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).