N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine

C18H20ClN — CID 115484384

IUPACN-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(Cl)c(-c2ccccc2CNC2CC2)cc1C
InChIInChI=1S/C18H20ClN/c1-12-9-17(18(19)10-13(12)2)16-6-4-3-5-14(16)11-20-15-7-8-15/h3-6,9-10,15,20H,7-8,11H2,1-2H3
InChIKeyWIYWEUKDYSIEBG-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.88
Rot. Bonds4

About N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine

N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 115484384) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID115484384
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(Cl)c(-c2ccccc2CNC2CC2)cc1C
InChIInChI=1S/C18H20ClN/c1-12-9-17(18(19)10-13(12)2)16-6-4-3-5-14(16)11-20-15-7-8-15/h3-6,9-10,15,20H,7-8,11H2,1-2H3
InChIKeyWIYWEUKDYSIEBG-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]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-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 115504969
N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine
CID 63424961
N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 115503138
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023313
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
N-[[3-(2-chloro-4,5-difluorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 107476925
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine (CID 115484384) is N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine is Cc1cc(Cl)c(-c2ccccc2CNC2CC2)cc1C.
What is the InChIKey of N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is WIYWEUKDYSIEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-9-17(18(19)10-13(12)2)16-6-4-3-5-14(16)11-20-15-7-8-15/h3-6,9-10,15,20H,7-8,11H2,1-2H3.
What are the key properties of N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine?
N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 285.82 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115484384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).