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

C17H26ClN — CID 65425698

IUPAC1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(NC)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN/c1-3-4-13-5-7-14(8-6-13)17(19-2)15-9-11-16(18)12-10-15/h9-14,17,19H,3-8H2,1-2H3
InChIKeyPTJWNLYLGZOEMW-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.21
Rot. Bonds5

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

1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine (PubChem CID 65425698) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
PubChem CID65425698
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(NC)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN/c1-3-4-13-5-7-14(8-6-13)17(19-2)15-9-11-16(18)12-10-15/h9-14,17,19H,3-8H2,1-2H3
InChIKeyPTJWNLYLGZOEMW-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.86
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(4-propylcyclohexyl)-1-(4-propylphenyl)methanamine
CID 65424733
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957064
1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
CID 139753503
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991020
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 65424736

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine (CID 65425698) is 1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(NC)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The InChIKey is PTJWNLYLGZOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-4-13-5-7-14(8-6-13)17(19-2)15-9-11-16(18)12-10-15/h9-14,17,19H,3-8H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine has a molecular weight of 279.86 g/mol, XLogP of 5.21, 5 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-propylcyclohexyl)methanamine is sourced from PubChem (CID 65425698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).