1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine

C16H17F2N — CID 62329924

IUPAC1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H17F2N/c1-11-2-4-12(5-3-11)8-15(19)10-13-9-14(17)6-7-16(13)18/h2-7,9,15H,8,10,19H2,1H3
InChIKeyZQKOGHDARQATAQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.39
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine

1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine (PubChem CID 62329924) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
PubChem CID62329924
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H17F2N/c1-11-2-4-12(5-3-11)8-15(19)10-13-9-14(17)6-7-16(13)18/h2-7,9,15H,8,10,19H2,1H3
InChIKeyZQKOGHDARQATAQ-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine 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

1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115802634
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345
1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
CID 103048411
ethyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 59009740
1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
CID 114843607
1-(2,5-difluorophenyl)-2-(4-methylphenyl)ethanol
CID 61099597

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine (CID 62329924) is 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine is Cc1ccc(CC(N)Cc2cc(F)ccc2F)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine?
The InChIKey is ZQKOGHDARQATAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-2-4-12(5-3-11)8-15(19)10-13-9-14(17)6-7-16(13)18/h2-7,9,15H,8,10,19H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine?
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 62329924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).