N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine

C16H14F3N — CID 61033260

IUPACN-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(-c2cc(CNC3CC3)ccc2F)c(F)c1
InChIInChI=1S/C16H14F3N/c17-11-2-5-13(16(19)8-11)14-7-10(1-6-15(14)18)9-20-12-3-4-12/h1-2,5-8,12,20H,3-4,9H2
InChIKeyCMZOGHPKMRNUTJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.02
Rot. Bonds4

About N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine

N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine (PubChem CID 61033260) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
PubChem CID61033260
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC NameN-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(-c2cc(CNC3CC3)ccc2F)c(F)c1
InChIInChI=1S/C16H14F3N/c17-11-2-5-13(16(19)8-11)14-7-10(1-6-15(14)18)9-20-12-3-4-12/h1-2,5-8,12,20H,3-4,9H2
InChIKeyCMZOGHPKMRNUTJ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine 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

N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
CID 115502872
N-[[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81159829
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 82792350
N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine
CID 81128764
N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 103131603

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine (CID 61033260) is N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine is Fc1ccc(-c2cc(CNC3CC3)ccc2F)c(F)c1.
What is the InChIKey of N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is CMZOGHPKMRNUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-11-2-5-13(16(19)8-11)14-7-10(1-6-15(14)18)9-20-12-3-4-12/h1-2,5-8,12,20H,3-4,9H2.
What are the key properties of N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 277.29 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61033260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).