4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile

C15H20N2O — CID 115150172

IUPAC4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
SMILESCOc1cccc(CNC2CCC(C#N)CC2)c1
InChIInChI=1S/C15H20N2O/c1-18-15-4-2-3-13(9-15)11-17-14-7-5-12(10-16)6-8-14/h2-4,9,12,14,17H,5-8,11H2,1H3
InChIKeyWLRQOKNVFFUAFA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.87
Rot. Bonds4

About 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile

4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile (PubChem CID 115150172) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
PubChem CID115150172
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
SMILESCOc1cccc(CNC2CCC(C#N)CC2)c1
InChIInChI=1S/C15H20N2O/c1-18-15-4-2-3-13(9-15)11-17-14-7-5-12(10-16)6-8-14/h2-4,9,12,14,17H,5-8,11H2,1H3
InChIKeyWLRQOKNVFFUAFA-UHFFFAOYSA-N
XLogP2.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64623988
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
3-[[(4-methoxycyclohexyl)amino]methyl]benzonitrile
CID 113414372
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
6-[3-[(cyclopropylamino)methyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106708779

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile (CID 115150172) is 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile is COc1cccc(CNC2CCC(C#N)CC2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile?
The InChIKey is WLRQOKNVFFUAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-15-4-2-3-13(9-15)11-17-14-7-5-12(10-16)6-8-14/h2-4,9,12,14,17H,5-8,11H2,1H3.
What are the key properties of 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile?
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).