2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile

C15H19FN2O — CID 65096727

IUPAC2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CCCCC2)cc1F
InChIInChI=1S/C15H19FN2O/c1-19-15-8-7-11(9-13(15)16)14(10-17)18-12-5-3-2-4-6-12/h7-9,12,14,18H,2-6H2,1H3
InChIKeyIGJQNPMNZAHVFE-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.32
Rot. Bonds4

About 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile

2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile (PubChem CID 65096727) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
PubChem CID65096727
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CCCCC2)cc1F
InChIInChI=1S/C15H19FN2O/c1-19-15-8-7-11(9-13(15)16)14(10-17)18-12-5-3-2-4-6-12/h7-9,12,14,18H,2-6H2,1H3
InChIKeyIGJQNPMNZAHVFE-UHFFFAOYSA-N
XLogP3.32
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096774
2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096678
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-(cycloheptylamino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63078021
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(cyclohexylamino)acetonitrile
CID 60998251
2-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)acetonitrile
CID 65096153
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
CID 54894505
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile (CID 65096727) is 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile is COc1ccc(C(C#N)NC2CCCCC2)cc1F.
What is the InChIKey of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile?
The InChIKey is IGJQNPMNZAHVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-19-15-8-7-11(9-13(15)16)14(10-17)18-12-5-3-2-4-6-12/h7-9,12,14,18H,2-6H2,1H3.
What are the key properties of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile?
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile has a molecular weight of 262.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 65096727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).