1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile

C16H19FN2O — CID 107660360

IUPAC1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile
SMILESCc1cccc(OC2CCC(C#N)(NC3CC3)C2)c1F
InChIInChI=1S/C16H19FN2O/c1-11-3-2-4-14(15(11)17)20-13-7-8-16(9-13,10-18)19-12-5-6-12/h2-4,12-13,19H,5-9H2,1H3
InChIKeyJBDFJKAYMPYZMW-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.08
Rot. Bonds4

About 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile (PubChem CID 107660360) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile
PubChem CID107660360
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile
SMILESCc1cccc(OC2CCC(C#N)(NC3CC3)C2)c1F
InChIInChI=1S/C16H19FN2O/c1-11-3-2-4-14(15(11)17)20-13-7-8-16(9-13,10-18)19-12-5-6-12/h2-4,12-13,19H,5-9H2,1H3
InChIKeyJBDFJKAYMPYZMW-UHFFFAOYSA-N
XLogP3.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile (CID 107660360) is 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile is Cc1cccc(OC2CCC(C#N)(NC3CC3)C2)c1F.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile?
The InChIKey is JBDFJKAYMPYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11-3-2-4-14(15(11)17)20-13-7-8-16(9-13,10-18)19-12-5-6-12/h2-4,12-13,19H,5-9H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile has a molecular weight of 274.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 107660360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).