(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone

C16H23NO — CID 116581278

IUPAC(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2cc(C)ccc2N)C1
InChIInChI=1S/C16H23NO/c1-3-12-5-4-6-13(10-12)16(18)14-9-11(2)7-8-15(14)17/h7-9,12-13H,3-6,10,17H2,1-2H3
InChIKeyCHQWLFZVLLTOSN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.98
Rot. Bonds3

About (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone

(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone (PubChem CID 116581278) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
PubChem CID116581278
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2cc(C)ccc2N)C1
InChIInChI=1S/C16H23NO/c1-3-12-5-4-6-13(10-12)16(18)14-9-11(2)7-8-15(14)17/h7-9,12-13H,3-6,10,17H2,1-2H3
InChIKeyCHQWLFZVLLTOSN-UHFFFAOYSA-N
XLogP3.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
CID 114601910
(5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone
CID 114976416
2-(3-ethylcyclohexyl)sulfonyl-4-methylaniline
CID 81183239
(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone
CID 116603535
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
CID 116581446
(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 79990878
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone (CID 116581278) is (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)c2cc(C)ccc2N)C1.
What is the InChIKey of (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone?
The InChIKey is CHQWLFZVLLTOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-12-5-4-6-13(10-12)16(18)14-9-11(2)7-8-15(14)17/h7-9,12-13H,3-6,10,17H2,1-2H3.
What are the key properties of (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone?
(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 116581278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).