1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine

C14H20ClN — CID 53321059

IUPAC1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H20ClN/c1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11H2,1H3
InChIKeyHOXBFDRIDWJAEN-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.76
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine

1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 53321059) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine
PubChem CID53321059
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H20ClN/c1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11H2,1H3
InChIKeyHOXBFDRIDWJAEN-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine (CID 53321059) is 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine is CNCC1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is HOXBFDRIDWJAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine?
1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 237.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 53321059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).