1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine

C15H20ClN — CID 106859015

IUPAC1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1ccc(C)cc1Cl
InChIInChI=1S/C15H20ClN/c1-11-8-9-13(14(16)10-11)15(17-2)12-6-4-3-5-7-12/h6,8-10,15,17H,3-5,7H2,1-2H3
InChIKeyNMXTUWWUBNPAKJ-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.41
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine

1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine (PubChem CID 106859015) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
PubChem CID106859015
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1ccc(C)cc1Cl
InChIInChI=1S/C15H20ClN/c1-11-8-9-13(14(16)10-11)15(17-2)12-6-4-3-5-7-12/h6,8-10,15,17H,3-5,7H2,1-2H3
InChIKeyNMXTUWWUBNPAKJ-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine 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-chloro-4-methylphenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 106859010
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(2-bromo-5-methylphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81109444
1-[(1E)-cycloocten-1-yl]-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107947117
1-(4-chloro-2-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62077826
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62079579
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(4-bromo-2-methoxyphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 115368980
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
CID 106857422

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine (CID 106859015) is 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine is CNC(C1=CCCCC1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The InChIKey is NMXTUWWUBNPAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-11-8-9-13(14(16)10-11)15(17-2)12-6-4-3-5-7-12/h6,8-10,15,17H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine has a molecular weight of 249.78 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 106859015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).