2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile

C15H19FN2 — CID 62978455

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile
SMILESCC(c1ccccc1F)N(C)C1CCCC1C#N
InChIInChI=1S/C15H19FN2/c1-11(13-7-3-4-8-14(13)16)18(2)15-9-5-6-12(15)10-17/h3-4,7-8,11-12,15H,5-6,9H2,1-2H3
InChIKeyVGNWRUADEQFAHC-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.51
Rot. Bonds3

About 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile

2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile (PubChem CID 62978455) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile
PubChem CID62978455
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile
SMILESCC(c1ccccc1F)N(C)C1CCCC1C#N
InChIInChI=1S/C15H19FN2/c1-11(13-7-3-4-8-14(13)16)18(2)15-9-5-6-12(15)10-17/h3-4,7-8,11-12,15H,5-6,9H2,1-2H3
InChIKeyVGNWRUADEQFAHC-UHFFFAOYSA-N
XLogP3.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile (CID 62978455) is 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile is CC(c1ccccc1F)N(C)C1CCCC1C#N.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile?
The InChIKey is VGNWRUADEQFAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-11(13-7-3-4-8-14(13)16)18(2)15-9-5-6-12(15)10-17/h3-4,7-8,11-12,15H,5-6,9H2,1-2H3.
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile?
2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62978455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).