3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol

C16H17ClFNO — CID 65184459

IUPAC3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(F)cc1C(O)C(CN)c1ccccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-6-7-11(18)8-13(10)16(20)14(9-19)12-4-2-3-5-15(12)17/h2-8,14,16,20H,9,19H2,1H3
InChIKeyVKTZFMDCHKOLPW-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.56
Rot. Bonds4

About 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol

3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 65184459) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
PubChem CID65184459
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(F)cc1C(O)C(CN)c1ccccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-6-7-11(18)8-13(10)16(20)14(9-19)12-4-2-3-5-15(12)17/h2-8,14,16,20H,9,19H2,1H3
InChIKeyVKTZFMDCHKOLPW-UHFFFAOYSA-N
XLogP3.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)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-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-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 107984150
3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79807640
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471
3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol
CID 65238078
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol (CID 65184459) is 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol is Cc1ccc(F)cc1C(O)C(CN)c1ccccc1Cl.
What is the InChIKey of 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is VKTZFMDCHKOLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-6-7-11(18)8-13(10)16(20)14(9-19)12-4-2-3-5-15(12)17/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol?
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol has a molecular weight of 293.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 65184459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).