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

C16H23NO2 — CID 116568899

IUPAC(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CCCC(N)C2)cc1C
InChIInChI=1S/C16H23NO2/c1-10-8-15(19-3)11(2)7-14(10)16(18)12-5-4-6-13(17)9-12/h7-8,12-13H,4-6,9,17H2,1-3H3
InChIKeyPXRZOAUIXLXVHW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.01
Rot. Bonds3

About (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone

(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 116568899) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID116568899
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CCCC(N)C2)cc1C
InChIInChI=1S/C16H23NO2/c1-10-8-15(19-3)11(2)7-14(10)16(18)12-5-4-6-13(17)9-12/h7-8,12-13H,4-6,9,17H2,1-3H3
InChIKeyPXRZOAUIXLXVHW-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

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Related Compounds

cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
CID 116568873
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
CID 116917786
cyclohexyl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82552755
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 115797651

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone (CID 116568899) is (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)C2CCCC(N)C2)cc1C.
What is the InChIKey of (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is PXRZOAUIXLXVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-8-15(19-3)11(2)7-14(10)16(18)12-5-4-6-13(17)9-12/h7-8,12-13H,4-6,9,17H2,1-3H3.
What are the key properties of (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
(3-aminocyclohexyl)-(4-methoxy-2,5-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 (3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 116568899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).