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

C18H27NO2 — CID 65486903

IUPAC2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one
SMILESCOc1ccccc1CC(C)N(C)CC1CCCCC1=O
InChIInChI=1S/C18H27NO2/c1-14(12-15-8-5-7-11-18(15)21-3)19(2)13-16-9-4-6-10-17(16)20/h5,7-8,11,14,16H,4,6,9-10,12-13H2,1-3H3
InChIKeyRQWBYIBJDFAVDM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.32
Rot. Bonds6

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

2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one (PubChem CID 65486903) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one
PubChem CID65486903
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one
SMILESCOc1ccccc1CC(C)N(C)CC1CCCCC1=O
InChIInChI=1S/C18H27NO2/c1-14(12-15-8-5-7-11-18(15)21-3)19(2)13-16-9-4-6-10-17(16)20/h5,7-8,11,14,16H,4,6,9-10,12-13H2,1-3H3
InChIKeyRQWBYIBJDFAVDM-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine
CID 65486545
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
CID 102732198
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 82083610
N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 65487899
N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 65486312
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one (CID 65486903) is 2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one is COc1ccccc1CC(C)N(C)CC1CCCCC1=O.
What is the InChIKey of 2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one?
The InChIKey is RQWBYIBJDFAVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(12-15-8-5-7-11-18(15)21-3)19(2)13-16-9-4-6-10-17(16)20/h5,7-8,11,14,16H,4,6,9-10,12-13H2,1-3H3.
What are the key properties of 2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one?
2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 65486903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).