2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine

C16H16F3N — CID 62528800

IUPAC2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F3N/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-9-15(18)4-5-16(13)19/h1-5,8-9,12H,6-7,10,20H2
InChIKeyPAEPYKWGDJJDBI-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.46
Rot. Bonds5

About 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine

2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine (PubChem CID 62528800) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
PubChem CID62528800
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F3N/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-9-15(18)4-5-16(13)19/h1-5,8-9,12H,6-7,10,20H2
InChIKeyPAEPYKWGDJJDBI-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-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

2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496159
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
CID 66042131
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
2-[(5-chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529799
2-[(3-bromophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516635

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine (CID 62528800) is 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine is NCC(Cc1cccc(F)c1)Cc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is PAEPYKWGDJJDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-9-15(18)4-5-16(13)19/h1-5,8-9,12H,6-7,10,20H2.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62528800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).