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

C17H18FN — CID 66480229

IUPACN-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-c1ccccc1F
InChIInChI=1S/C17H18FN/c1-12-10-13(11-19-14-7-8-14)6-9-15(12)16-4-2-3-5-17(16)18/h2-6,9-10,14,19H,7-8,11H2,1H3
InChIKeyLWOAJTKJOWODSQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.05
Rot. Bonds4

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

N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 66480229) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID66480229
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-c1ccccc1F
InChIInChI=1S/C17H18FN/c1-12-10-13(11-19-14-7-8-14)6-9-15(12)16-4-2-3-5-17(16)18/h2-6,9-10,14,19H,7-8,11H2,1H3
InChIKeyLWOAJTKJOWODSQ-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-(2-fluorophenyl)-3-methylphenyl]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-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
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-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
CID 81448066
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine (CID 66480229) is N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1-c1ccccc1F.
What is the InChIKey of N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is LWOAJTKJOWODSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-10-13(11-19-14-7-8-14)6-9-15(12)16-4-2-3-5-17(16)18/h2-6,9-10,14,19H,7-8,11H2,1H3.
What are the key properties of N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 255.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66480229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).