1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile

C15H20N2O — CID 54887163

IUPAC1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile
SMILESCOc1cccc(NC2(C#N)CCC(C)CC2)c1
InChIInChI=1S/C15H20N2O/c1-12-6-8-15(11-16,9-7-12)17-13-4-3-5-14(10-13)18-2/h3-5,10,12,17H,6-9H2,1-2H3
InChIKeyOPFWAYRHIILJSZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.58
Rot. Bonds3

About 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile

1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile (PubChem CID 54887163) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile
PubChem CID54887163
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile
SMILESCOc1cccc(NC2(C#N)CCC(C)CC2)c1
InChIInChI=1S/C15H20N2O/c1-12-6-8-15(11-16,9-7-12)17-13-4-3-5-14(10-13)18-2/h3-5,10,12,17H,6-9H2,1-2H3
InChIKeyOPFWAYRHIILJSZ-UHFFFAOYSA-N
XLogP3.58
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyanilino)-3-methylcyclohexane-1-carbonitrile
CID 54887116
1-(1-cyano-4-methylcyclohexyl)-3-(3-methoxyphenyl)urea
CID 61310955
3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile
CID 64625229
1-(3-methoxyanilino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 115999180
4-(3-methoxyanilino)-1-methylazepane-4-carbonitrile
CID 65075260
3-(3-methoxyanilino)-1,1-dioxothiane-3-carbonitrile
CID 63923259
1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile
CID 18782402
3-(3-methoxyanilino)-1-azabicyclo[2.2.2]octane-3-carbonitrile
CID 54887533
1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64513111
1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
CID 80501151
N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102883092
2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile
CID 65480955

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile (CID 54887163) is 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile is COc1cccc(NC2(C#N)CCC(C)CC2)c1.
What is the InChIKey of 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is OPFWAYRHIILJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-6-8-15(11-16,9-7-12)17-13-4-3-5-14(10-13)18-2/h3-5,10,12,17H,6-9H2,1-2H3.
What are the key properties of 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile?
1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 54887163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).