4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one

C17H25NO — CID 62613387

IUPAC4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1ccccc1CN(C)CC1CC(C)CCC1=O
InChIInChI=1S/C17H25NO/c1-13-8-9-17(19)16(10-13)12-18(3)11-15-7-5-4-6-14(15)2/h4-7,13,16H,8-12H2,1-3H3
InChIKeyWXZSAQKGWPSMRJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.43
Rot. Bonds4

About 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one

4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 62613387) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID62613387
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1ccccc1CN(C)CC1CC(C)CCC1=O
InChIInChI=1S/C17H25NO/c1-13-8-9-17(19)16(10-13)12-18(3)11-15-7-5-4-6-14(15)2/h4-7,13,16H,8-12H2,1-3H3
InChIKeyWXZSAQKGWPSMRJ-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388
2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704331
4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 55094882
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one
CID 62612853
N,4-dimethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine
CID 62611056
2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one
CID 62613344
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 62612570
4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 62612208
4-methyl-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-one
CID 62614034
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-one
CID 114346454

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one (CID 62613387) is 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one is Cc1ccccc1CN(C)CC1CC(C)CCC1=O.
What is the InChIKey of 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is WXZSAQKGWPSMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-8-9-17(19)16(10-13)12-18(3)11-15-7-5-4-6-14(15)2/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one?
4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62613387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).