(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone

C15H21NO — CID 116568873

IUPAC(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCCC(N)C2)cc1C
InChIInChI=1S/C15H21NO/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(16)9-12/h6-8,12,14H,3-5,9,16H2,1-2H3
InChIKeyVCKIZWOSVDDRKX-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.00
Rot. Bonds2

About (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone

(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone (PubChem CID 116568873) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
PubChem CID116568873
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCCC(N)C2)cc1C
InChIInChI=1S/C15H21NO/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(16)9-12/h6-8,12,14H,3-5,9,16H2,1-2H3
InChIKeyVCKIZWOSVDDRKX-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

cis-(1S,3R)-3-(3,4-dimethylbenzoyl)cyclohexane-1-carboxylic acid
CID 53471360
(3-aminocyclohexyl)-(2-methylquinolin-6-yl)methanone
CID 116568855
(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116568899
(3-aminocyclohexyl)-(3-ethylphenyl)methanone
CID 116568892
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095
(4-bromo-3-methylphenyl)-cyclobutylmethanone
CID 115811405
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315
cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 175669825
[2-(3,4-dimethylphenyl)-2-oxoethyl] cyclobutanecarboxylate
CID 2418966
(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone (CID 116568873) is (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)C2CCCC(N)C2)cc1C.
What is the InChIKey of (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone?
The InChIKey is VCKIZWOSVDDRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(16)9-12/h6-8,12,14H,3-5,9,16H2,1-2H3.
What are the key properties of (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone?
(3-aminocyclohexyl)-(3,4-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 (3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 116568873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).