2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one

C15H21NO — CID 157010705

IUPAC2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one
SMILESCCNC1(c2cccc(C)c2)CCCCC1=O
InChIInChI=1S/C15H21NO/c1-3-16-15(10-5-4-9-14(15)17)13-8-6-7-12(2)11-13/h6-8,11,16H,3-5,9-10H2,1-2H3
InChIKeyWIMLPRYZJQNQLE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds3

About 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one

2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one (PubChem CID 157010705) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one
PubChem CID157010705
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one
SMILESCCNC1(c2cccc(C)c2)CCCCC1=O
InChIInChI=1S/C15H21NO/c1-3-16-15(10-5-4-9-14(15)17)13-8-6-7-12(2)11-13/h6-8,11,16H,3-5,9-10H2,1-2H3
InChIKeyWIMLPRYZJQNQLE-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one?
The IUPAC name of 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one (CID 157010705) is 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one.
What is the SMILES notation for 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one?
The canonical SMILES for 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one is CCNC1(c2cccc(C)c2)CCCCC1=O.
What is the InChIKey of 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one?
The InChIKey is WIMLPRYZJQNQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-16-15(10-5-4-9-14(15)17)13-8-6-7-12(2)11-13/h6-8,11,16H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one?
2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one is sourced from PubChem (CID 157010705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).