2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile

C16H22N2O — CID 84757170

IUPAC2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)N(C)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-18(14-6-4-3-5-7-14)16(12-17)13-8-10-15(19-2)11-9-13/h8-11,14,16H,3-7H2,1-2H3
InChIKeyMIIZKAXKCACVSZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.52
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile

2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile (PubChem CID 84757170) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile
PubChem CID84757170
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)N(C)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-18(14-6-4-3-5-7-14)16(12-17)13-8-10-15(19-2)11-9-13/h8-11,14,16H,3-7H2,1-2H3
InChIKeyMIIZKAXKCACVSZ-UHFFFAOYSA-N
XLogP3.52
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]-2-(5-methoxy-1H-indol-3-yl)acetonitrile
CID 84757207
2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 11460297
4-cycloheptyl-2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 114457994
2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 101024506
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709
4-cyclobutyl-2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 103163886
2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol
CID 141476098
1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55015809
1-(2-cyanoethyl)-1-cyclohexyl-3-(4-methoxyphenyl)thiourea
CID 2807290
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
2-(4-methoxyphenyl)-3-oxopropanenitrile
CID 10866844

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile (CID 84757170) is 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile is COc1ccc(C(C#N)N(C)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile?
The InChIKey is MIIZKAXKCACVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18(14-6-4-3-5-7-14)16(12-17)13-8-10-15(19-2)11-9-13/h8-11,14,16H,3-7H2,1-2H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile?
2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 84757170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).