3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol

C11H16FNO — CID 84774435

IUPAC3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(F)c(C)c(C(N)CCO)c1
InChIInChI=1S/C11H16FNO/c1-7-5-9(11(13)3-4-14)8(2)10(12)6-7/h5-6,11,14H,3-4,13H2,1-2H3
InChIKeyFYIJSFGSYISAGO-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol

3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol (PubChem CID 84774435) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
PubChem CID84774435
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(F)c(C)c(C(N)CCO)c1
InChIInChI=1S/C11H16FNO/c1-7-5-9(11(13)3-4-14)8(2)10(12)6-7/h5-6,11,14H,3-4,13H2,1-2H3
InChIKeyFYIJSFGSYISAGO-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-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

(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 84683308
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol
CID 130060827
(3R)-3-amino-3-(4-fluorothiophen-3-yl)propan-1-ol
CID 130642237
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol
CID 131052800
2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
CID 84776170

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol (CID 84774435) is 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol is Cc1cc(F)c(C)c(C(N)CCO)c1.
What is the InChIKey of 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol?
The InChIKey is FYIJSFGSYISAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-5-9(11(13)3-4-14)8(2)10(12)6-7/h5-6,11,14H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol?
3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 84774435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).