2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one

C16H23NO2 — CID 62614928

IUPAC2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCOc1cccc(CN(C)CC2CCCCC2=O)c1
InChIInChI=1S/C16H23NO2/c1-17(12-14-7-3-4-9-16(14)18)11-13-6-5-8-15(10-13)19-2/h5-6,8,10,14H,3-4,7,9,11-12H2,1-2H3
InChIKeyILIRMPXQWQCBKA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds5

About 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one

2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one (PubChem CID 62614928) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
PubChem CID62614928
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCOc1cccc(CN(C)CC2CCCCC2=O)c1
InChIInChI=1S/C16H23NO2/c1-17(12-14-7-3-4-9-16(14)18)11-13-6-5-8-15(10-13)19-2/h5-6,8,10,14H,3-4,7,9,11-12H2,1-2H3
InChIKeyILIRMPXQWQCBKA-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

(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440
2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732
1-methoxy-3-methylbenzene;2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 145337501
2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one
CID 62611884
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615994
N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
CID 107069067
6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843512

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one (CID 62614928) is 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one is COc1cccc(CN(C)CC2CCCCC2=O)c1.
What is the InChIKey of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The InChIKey is ILIRMPXQWQCBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(12-14-7-3-4-9-16(14)18)11-13-6-5-8-15(10-13)19-2/h5-6,8,10,14H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one?
2-[[(3-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 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62614928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).