(3-aminocyclohexyl)-(3-ethylphenyl)methanone

C15H21NO — CID 116568892

IUPAC(3-aminocyclohexyl)-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H21NO/c1-2-11-5-3-6-12(9-11)15(17)13-7-4-8-14(16)10-13/h3,5-6,9,13-14H,2,4,7-8,10,16H2,1H3
InChIKeyNOOAHKHCYKXEKY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.95
Rot. Bonds3

About (3-aminocyclohexyl)-(3-ethylphenyl)methanone

(3-aminocyclohexyl)-(3-ethylphenyl)methanone (PubChem CID 116568892) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(3-ethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(3-ethylphenyl)methanone
PubChem CID116568892
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3-aminocyclohexyl)-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H21NO/c1-2-11-5-3-6-12(9-11)15(17)13-7-4-8-14(16)10-13/h3,5-6,9,13-14H,2,4,7-8,10,16H2,1H3
InChIKeyNOOAHKHCYKXEKY-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-(3-ethylphenyl)methanone
CID 116587204
[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone
CID 130342338
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone
CID 115788864
(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543287
(3-ethylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944460
(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
CID 116568873
(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone
CID 116568855
ethyl 3-(cyclopentanecarbonyl)benzoate
CID 24724160
(3-ethylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944473
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
CID 116568844
[4-(aminomethyl)cyclohexyl]-[3-(2-methylpropyl)phenyl]methanone
CID 116592552

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(3-ethylphenyl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(3-ethylphenyl)methanone (CID 116568892) is (3-aminocyclohexyl)-(3-ethylphenyl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(3-ethylphenyl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(3-ethylphenyl)methanone is CCc1cccc(C(=O)C2CCCC(N)C2)c1.
What is the InChIKey of (3-aminocyclohexyl)-(3-ethylphenyl)methanone?
The InChIKey is NOOAHKHCYKXEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-11-5-3-6-12(9-11)15(17)13-7-4-8-14(16)10-13/h3,5-6,9,13-14H,2,4,7-8,10,16H2,1H3.
What are the key properties of (3-aminocyclohexyl)-(3-ethylphenyl)methanone?
(3-aminocyclohexyl)-(3-ethylphenyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(3-ethylphenyl)methanone is sourced from PubChem (CID 116568892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).