1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine

C16H25N — CID 81028545

IUPAC1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(C2CCCCC2CNC)cc1
InChIInChI=1S/C16H25N/c1-3-13-8-10-14(11-9-13)16-7-5-4-6-15(16)12-17-2/h8-11,15-17H,3-7,12H2,1-2H3
InChIKeyCPYBKSPPRMLXAZ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.74
Rot. Bonds4

About 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine

1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81028545) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
PubChem CID81028545
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(C2CCCCC2CNC)cc1
InChIInChI=1S/C16H25N/c1-3-13-8-10-14(11-9-13)16-7-5-4-6-15(16)12-17-2/h8-11,15-17H,3-7,12H2,1-2H3
InChIKeyCPYBKSPPRMLXAZ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine (CID 81028545) is 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine is CCc1ccc(C2CCCCC2CNC)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is CPYBKSPPRMLXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-13-8-10-14(11-9-13)16-7-5-4-6-15(16)12-17-2/h8-11,15-17H,3-7,12H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine?
1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81028545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).