2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one

C18H27NO — CID 64735996

IUPAC2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
SMILESCCN(CC1C(=O)CC(C)CC1C)c1ccccc1C
InChIInChI=1S/C18H27NO/c1-5-19(17-9-7-6-8-14(17)3)12-16-15(4)10-13(2)11-18(16)20/h6-9,13,15-16H,5,10-12H2,1-4H3
InChIKeyQSJZKCNPXRGOIQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.07
Rot. Bonds4

About 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one

2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one (PubChem CID 64735996) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
PubChem CID64735996
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
SMILESCCN(CC1C(=O)CC(C)CC1C)c1ccccc1C
InChIInChI=1S/C18H27NO/c1-5-19(17-9-7-6-8-14(17)3)12-16-15(4)10-13(2)11-18(16)20/h6-9,13,15-16H,5,10-12H2,1-4H3
InChIKeyQSJZKCNPXRGOIQ-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-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

Related Compounds

2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
CID 64736984
2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64737367
N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
CID 63483418
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline
CID 79866942
2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one
CID 79570131
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline
CID 79318520
4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79915138
2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63495843
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
3,5-dimethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one
CID 64734817
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64737376

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one (CID 64735996) is 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one is CCN(CC1C(=O)CC(C)CC1C)c1ccccc1C.
What is the InChIKey of 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one?
The InChIKey is QSJZKCNPXRGOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-19(17-9-7-6-8-14(17)3)12-16-15(4)10-13(2)11-18(16)20/h6-9,13,15-16H,5,10-12H2,1-4H3.
What are the key properties of 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one?
2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64735996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).