1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone

C16H23NO2 — CID 116584559

IUPAC1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2CCCCC2CN)c1
InChIInChI=1S/C16H23NO2/c1-19-14-7-4-5-12(9-14)10-16(18)15-8-3-2-6-13(15)11-17/h4-5,7,9,13,15H,2-3,6,8,10-11,17H2,1H3
InChIKeyJKZUNETXSCUUEF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.57
Rot. Bonds5

About 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone

1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone (PubChem CID 116584559) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
PubChem CID116584559
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2CCCCC2CN)c1
InChIInChI=1S/C16H23NO2/c1-19-14-7-4-5-12(9-14)10-16(18)15-8-3-2-6-13(15)11-17/h4-5,7,9,13,15H,2-3,6,8,10-11,17H2,1H3
InChIKeyJKZUNETXSCUUEF-UHFFFAOYSA-N
XLogP2.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
CID 116584625
1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
CID 116584506
[2-[(3-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 43329442
[2-[(3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 43428902
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone (CID 116584559) is 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)C2CCCCC2CN)c1.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is JKZUNETXSCUUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-14-7-4-5-12(9-14)10-16(18)15-8-3-2-6-13(15)11-17/h4-5,7,9,13,15H,2-3,6,8,10-11,17H2,1H3.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone?
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 116584559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).