(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone

C15H21NO — CID 116557468

IUPAC(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C15H21NO/c1-10-3-4-11(2)14(9-10)15(17)12-5-7-13(16)8-6-12/h3-4,9,12-13H,5-8,16H2,1-2H3
InChIKeyHEWPNIWSTMOIKN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.00
Rot. Bonds2

About (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone

(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone (PubChem CID 116557468) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
PubChem CID116557468
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C15H21NO/c1-10-3-4-11(2)14(9-10)15(17)12-5-7-13(16)8-6-12/h3-4,9,12-13H,5-8,16H2,1-2H3
InChIKeyHEWPNIWSTMOIKN-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
CID 79121701
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone
CID 116585032
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 116917735
(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 116917563
(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 114975097
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone (CID 116557468) is (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)C2CCC(N)CC2)c1.
What is the InChIKey of (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone?
The InChIKey is HEWPNIWSTMOIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-3-4-11(2)14(9-10)15(17)12-5-7-13(16)8-6-12/h3-4,9,12-13H,5-8,16H2,1-2H3.
What are the key properties of (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone?
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 116557468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).