1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

C15H22ClN — CID 55185676

IUPAC1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(Cl)cc1)C1CCC(C)CC1
InChIInChI=1S/C15H22ClN/c1-11-3-5-12(6-4-11)15(17-2)13-7-9-14(16)10-8-13/h7-12,15,17H,3-6H2,1-2H3
InChIKeyMCVGQNXCJDSRAM-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.43
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (PubChem CID 55185676) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
PubChem CID55185676
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(Cl)cc1)C1CCC(C)CC1
InChIInChI=1S/C15H22ClN/c1-11-3-5-12(6-4-11)15(17-2)13-7-9-14(16)10-8-13/h7-12,15,17H,3-6H2,1-2H3
InChIKeyMCVGQNXCJDSRAM-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957064
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988080
N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 104987916
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
CID 43224358
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 107476202
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (CID 55185676) is 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is CNC(c1ccc(Cl)cc1)C1CCC(C)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The InChIKey is MCVGQNXCJDSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11-3-5-12(6-4-11)15(17-2)13-7-9-14(16)10-8-13/h7-12,15,17H,3-6H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine has a molecular weight of 251.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 55185676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).