2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile

C23H27FN2 — CID 21181308

IUPAC2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile
SMILESCN(CCCC(C#N)(c1ccccc1F)C1CC1)CCc1ccccc1
InChIInChI=1S/C23H27FN2/c1-26(17-14-19-8-3-2-4-9-19)16-7-15-23(18-25,20-12-13-20)21-10-5-6-11-22(21)24/h2-6,8-11,20H,7,12-17H2,1H3
InChIKeyGYESTGGXQSYNOH-UHFFFAOYSA-N
MW350.48 g/mol
LogP4.95
Rot. Bonds9

About 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile

2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile (PubChem CID 21181308) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile
PubChem CID21181308
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC Name2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile
SMILESCN(CCCC(C#N)(c1ccccc1F)C1CC1)CCc1ccccc1
InChIInChI=1S/C23H27FN2/c1-26(17-14-19-8-3-2-4-9-19)16-7-15-23(18-25,20-12-13-20)21-10-5-6-11-22(21)24/h2-6,8-11,20H,7,12-17H2,1H3
InChIKeyGYESTGGXQSYNOH-UHFFFAOYSA-N
XLogP4.95
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 21181405
2-cyclopropyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181931
2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]pentanenitrile
CID 21181905
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
CID 23582575
2-cyclopentyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181502
2-cyclohexyl-2-(2-fluorophenyl)-5-[2-phenylethyl(propyl)amino]hexanenitrile
CID 21181718
2-cyclobutyl-5-[2-phenylethyl(propan-2-yl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 154428274
5-[benzyl(methyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclopentylpentanenitrile
CID 21181444
2-(4-chlorophenyl)-2-cyclopropyl-5-[2-(4-methoxyphenyl)ethyl-methylamino]pentanenitrile
CID 23582438
2-(4-chlorophenyl)-2-cyclopropyl-5-[ethyl(2-phenylethyl)amino]pentanenitrile
CID 21181334
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 65487082
5-[benzyl(propyl)amino]-2-(2-chlorophenyl)-2-cyclopropylpentanenitrile
CID 21181279

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile?
The IUPAC name of 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile (CID 21181308) is 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile is CN(CCCC(C#N)(c1ccccc1F)C1CC1)CCc1ccccc1.
What is the InChIKey of 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile?
The InChIKey is GYESTGGXQSYNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2/c1-26(17-14-19-8-3-2-4-9-19)16-7-15-23(18-25,20-12-13-20)21-10-5-6-11-22(21)24/h2-6,8-11,20H,7,12-17H2,1H3.
What are the key properties of 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile?
2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile has a molecular weight of 350.48 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile is sourced from PubChem (CID 21181308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).