N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine

C18H25Cl2N — CID 81035101

IUPACN-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H25Cl2N/c1-12-2-3-14(11-21-17-6-7-17)15(8-12)9-13-4-5-16(19)10-18(13)20/h4-5,10,12,14-15,17,21H,2-3,6-9,11H2,1H3
InChIKeyGHEPVHJWNWKPSX-UHFFFAOYSA-N
MW326.31 g/mol
LogP5.34
Rot. Bonds5

About N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81035101) has the molecular formula C18H25Cl2N and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID81035101
Molecular FormulaC18H25Cl2N
Molecular Weight326.31 g/mol
Exact Mass325.14
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H25Cl2N/c1-12-2-3-14(11-21-17-6-7-17)15(8-12)9-13-4-5-16(19)10-18(13)20/h4-5,10,12,14-15,17,21H,2-3,6-9,11H2,1H3
InChIKeyGHEPVHJWNWKPSX-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.31
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]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-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033598
2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene
CID 63461138
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114350178
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031376
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
N-[[2-[(2,4-dichlorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81033102
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 81026182
N-[[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031760

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine (CID 81035101) is N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine is CC1CCC(CNC2CC2)C(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is GHEPVHJWNWKPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N/c1-12-2-3-14(11-21-17-6-7-17)15(8-12)9-13-4-5-16(19)10-18(13)20/h4-5,10,12,14-15,17,21H,2-3,6-9,11H2,1H3.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 326.31 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81035101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).