2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone

C16H23NO3 — CID 116811535

IUPAC2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
SMILESCOc1cccc(OC)c1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C16H23NO3/c1-19-13-7-6-8-14(20-2)15(13)12(18)11-16(17)9-4-3-5-10-16/h6-8H,3-5,9-11,17H2,1-2H3
InChIKeyXBIIPKQPMDRDIB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.94
Rot. Bonds5

About 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone

2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone (PubChem CID 116811535) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
PubChem CID116811535
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
SMILESCOc1cccc(OC)c1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C16H23NO3/c1-19-13-7-6-8-14(20-2)15(13)12(18)11-16(17)9-4-3-5-10-16/h6-8H,3-5,9-11,17H2,1-2H3
InChIKeyXBIIPKQPMDRDIB-UHFFFAOYSA-N
XLogP2.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 64685514
2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 116579069
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114669627
2-(1-aminocyclopentyl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64677547
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
1-[(2-methoxyphenoxy)methyl]cyclohexan-1-amine
CID 84698885
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 119404004

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone (CID 116811535) is 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone is COc1cccc(OC)c1C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone?
The InChIKey is XBIIPKQPMDRDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-13-7-6-8-14(20-2)15(13)12(18)11-16(17)9-4-3-5-10-16/h6-8H,3-5,9-11,17H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone?
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone is sourced from PubChem (CID 116811535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).