(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone

C16H23NO2 — CID 116917563

IUPAC(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)C2CCC(N)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-10-8-13(9-11(2)16(10)19-3)15(18)12-4-6-14(17)7-5-12/h8-9,12,14H,4-7,17H2,1-3H3
InChIKeyAOAKIKYJKZXTFE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.01
Rot. Bonds3

About (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone

(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 116917563) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID116917563
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)C2CCC(N)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-10-8-13(9-11(2)16(10)19-3)15(18)12-4-6-14(17)7-5-12/h8-9,12,14H,4-7,17H2,1-3H3
InChIKeyAOAKIKYJKZXTFE-UHFFFAOYSA-N
XLogP3.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171940676
(4-methoxy-3,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171940671
4-(4-methoxy-3,5-dimethylphenyl)cyclohexan-1-amine
CID 116962622
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 83057486
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161460
(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone
CID 114329540
2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
CID 116924503
4-methoxy-3,5-dimethylbenzenecarbothioic S-acid
CID 116918890
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone (CID 116917563) is (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)C2CCC(N)CC2)cc1C.
What is the InChIKey of (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is AOAKIKYJKZXTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-8-13(9-11(2)16(10)19-3)15(18)12-4-6-14(17)7-5-12/h8-9,12,14H,4-7,17H2,1-3H3.
What are the key properties of (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 116917563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).