2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile

C14H17FN2 — CID 114054084

IUPAC2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
SMILESCc1ccc(F)c(C(C#N)NC2CCCC2)c1
InChIInChI=1S/C14H17FN2/c1-10-6-7-13(15)12(8-10)14(9-16)17-11-4-2-3-5-11/h6-8,11,14,17H,2-5H2,1H3
InChIKeyXYSDGLNLIFFRBY-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.23
Rot. Bonds3

About 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile

2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile (PubChem CID 114054084) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
PubChem CID114054084
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
SMILESCc1ccc(F)c(C(C#N)NC2CCCC2)c1
InChIInChI=1S/C14H17FN2/c1-10-6-7-13(15)12(8-10)14(9-16)17-11-4-2-3-5-11/h6-8,11,14,17H,2-5H2,1H3
InChIKeyXYSDGLNLIFFRBY-UHFFFAOYSA-N
XLogP3.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile?
The IUPAC name of 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile (CID 114054084) is 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile is Cc1ccc(F)c(C(C#N)NC2CCCC2)c1.
What is the InChIKey of 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile?
The InChIKey is XYSDGLNLIFFRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10-6-7-13(15)12(8-10)14(9-16)17-11-4-2-3-5-11/h6-8,11,14,17H,2-5H2,1H3.
What are the key properties of 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile?
2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile is sourced from PubChem (CID 114054084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).