6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one

C17H25NO2 — CID 79853246

IUPAC6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCOc1ccccc1N(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C17H25NO2/c1-17(2)11-7-8-13(16(17)19)12-18(3)14-9-5-6-10-15(14)20-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChIKeyPRDQAGBEBXKELX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.53
Rot. Bonds4

About 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one

6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79853246) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79853246
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCOc1ccccc1N(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C17H25NO2/c1-17(2)11-7-8-13(16(17)19)12-18(3)14-9-5-6-10-15(14)20-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChIKeyPRDQAGBEBXKELX-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(2-methoxy-N-methylanilino)methyl]-2,2-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

5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856120
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
CID 79852813
2-methoxy-N-methyl-N-[[2-(methylamino)cyclopentyl]methyl]aniline
CID 62611202
2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine
CID 62611373
[1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol
CID 79571282
N-[[2-(ethylamino)cyclohexyl]methyl]-2-methoxy-N-methylaniline
CID 62614958
2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578119
2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 79852369
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
2-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 62430750

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one (CID 79853246) is 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one is COc1ccccc1N(C)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is PRDQAGBEBXKELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2)11-7-8-13(16(17)19)12-18(3)14-9-5-6-10-15(14)20-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3.
What are the key properties of 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one?
6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79853246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).