2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile

C16H22N2O — CID 62132442

IUPAC2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CCCCC2)cc1C
InChIInChI=1S/C16H22N2O/c1-12-10-13(8-9-16(12)19-2)15(11-17)18-14-6-4-3-5-7-14/h8-10,14-15,18H,3-7H2,1-2H3
InChIKeySTSVCFFCOMHZOP-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.49
Rot. Bonds4

About 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile

2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile (PubChem CID 62132442) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
PubChem CID62132442
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CCCCC2)cc1C
InChIInChI=1S/C16H22N2O/c1-12-10-13(8-9-16(12)19-2)15(11-17)18-14-6-4-3-5-7-14/h8-10,14-15,18H,3-7H2,1-2H3
InChIKeySTSVCFFCOMHZOP-UHFFFAOYSA-N
XLogP3.49
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096727
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096774
2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096678
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 43753552
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(cyclohexylamino)acetonitrile
CID 60998251
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
CID 54894505
[chloro-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020691
[bromo-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020989
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile?
The IUPAC name of 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile (CID 62132442) is 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile is COc1ccc(C(C#N)NC2CCCCC2)cc1C.
What is the InChIKey of 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile?
The InChIKey is STSVCFFCOMHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-10-13(8-9-16(12)19-2)15(11-17)18-14-6-4-3-5-7-14/h8-10,14-15,18H,3-7H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile?
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile is sourced from PubChem (CID 62132442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).