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

C17H20FNO — CID 65190697

IUPAC3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESCc1ccc(C)c(C(O)C(CN)c2cccc(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-11-6-7-12(2)15(8-11)17(20)16(10-19)13-4-3-5-14(18)9-13/h3-9,16-17,20H,10,19H2,1-2H3
InChIKeyHZOWHMMODBCDJA-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.22
Rot. Bonds4

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

3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 65190697) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
PubChem CID65190697
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESCc1ccc(C)c(C(O)C(CN)c2cccc(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-11-6-7-12(2)15(8-11)17(20)16(10-19)13-4-3-5-14(18)9-13/h3-9,16-17,20H,10,19H2,1-2H3
InChIKeyHZOWHMMODBCDJA-UHFFFAOYSA-N
XLogP3.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)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

3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
CID 65186538
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 81116828
3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol
CID 65189256
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
(2-amino-5-methylphenyl)-(3-fluorophenyl)methanol
CID 105489348

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol (CID 65190697) is 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol is Cc1ccc(C)c(C(O)C(CN)c2cccc(F)c2)c1.
What is the InChIKey of 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is HZOWHMMODBCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-6-7-12(2)15(8-11)17(20)16(10-19)13-4-3-5-14(18)9-13/h3-9,16-17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol?
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65190697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).