1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine

C15H22ClN — CID 21365270

IUPAC1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H22ClN/c1-17(2)12-15(10-4-3-5-11-15)13-6-8-14(16)9-7-13/h6-9H,3-5,10-12H2,1-2H3
InChIKeyUFFRBOMGNQGCAY-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.10
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine

1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine (PubChem CID 21365270) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine
PubChem CID21365270
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H22ClN/c1-17(2)12-15(10-4-3-5-11-15)13-6-8-14(16)9-7-13/h6-9H,3-5,10-12H2,1-2H3
InChIKeyUFFRBOMGNQGCAY-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine (CID 21365270) is 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine is CN(C)CC1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is UFFRBOMGNQGCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-17(2)12-15(10-4-3-5-11-15)13-6-8-14(16)9-7-13/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 21365270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).