1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine

C15H23ClN2 — CID 68892096

IUPAC1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1(Cc2ccc(Cl)cc2)CCC(N)CC1
InChIInChI=1S/C15H23ClN2/c1-18(2)15(9-7-14(17)8-10-15)11-12-3-5-13(16)6-4-12/h3-6,14H,7-11,17H2,1-2H3
InChIKeyRHTWGMJQYALVNH-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.08
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine

1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine (PubChem CID 68892096) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine
PubChem CID68892096
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1(Cc2ccc(Cl)cc2)CCC(N)CC1
InChIInChI=1S/C15H23ClN2/c1-18(2)15(9-7-14(17)8-10-15)11-12-3-5-13(16)6-4-12/h3-6,14H,7-11,17H2,1-2H3
InChIKeyRHTWGMJQYALVNH-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine (CID 68892096) is 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine is CN(C)C1(Cc2ccc(Cl)cc2)CCC(N)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is RHTWGMJQYALVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-18(2)15(9-7-14(17)8-10-15)11-12-3-5-13(16)6-4-12/h3-6,14H,7-11,17H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine?
1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 68892096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).