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

C15H21NO2 — CID 116584506

IUPAC1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H21NO2/c16-10-12-5-1-2-7-14(12)15(18)9-11-4-3-6-13(17)8-11/h3-4,6,8,12,14,17H,1-2,5,7,9-10,16H2
InChIKeyHJNJECRMMZEHDJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds4

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

1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone (PubChem CID 116584506) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
PubChem CID116584506
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H21NO2/c16-10-12-5-1-2-7-14(12)15(18)9-11-4-3-6-13(17)8-11/h3-4,6,8,12,14,17H,1-2,5,7,9-10,16H2
InChIKeyHJNJECRMMZEHDJ-UHFFFAOYSA-N
XLogP2.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
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-methoxyphenyl)ethanone
CID 116584559
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
CID 116584689
1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
CID 107311389
1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
CID 116584544
1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584628
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone
CID 116584736
1-cyclopentyl-2-(3-iodophenyl)ethanone
CID 158596925

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone (CID 116584506) is 1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone is NCC1CCCCC1C(=O)Cc1cccc(O)c1.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone?
The InChIKey is HJNJECRMMZEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-10-12-5-1-2-7-14(12)15(18)9-11-4-3-6-13(17)8-11/h3-4,6,8,12,14,17H,1-2,5,7,9-10,16H2.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone?
1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 116584506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).