4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one

C16H23NO2 — CID 115240195

IUPAC4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCOc1ccc(CN(C)CC2CCC(=O)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-17(11-13-3-7-15(18)8-4-13)12-14-5-9-16(19-2)10-6-14/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyDVOGSKZLSQXROV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds5

About 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one

4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one (PubChem CID 115240195) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
PubChem CID115240195
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCOc1ccc(CN(C)CC2CCC(=O)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-17(11-13-3-7-15(18)8-4-13)12-14-5-9-16(19-2)10-6-14/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyDVOGSKZLSQXROV-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 115240190
[5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62436799
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057820
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62299610
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
(3aS,7aS)-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11918745
2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol
CID 42463612
[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol
CID 112631198
4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 115240273

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one (CID 115240195) is 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one is COc1ccc(CN(C)CC2CCC(=O)CC2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The InChIKey is DVOGSKZLSQXROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(11-13-3-7-15(18)8-4-13)12-14-5-9-16(19-2)10-6-14/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one?
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 115240195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).