1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile

C15H17F3N2O — CID 79638685

IUPAC1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H17F3N2O/c1-2-20-14(10-19)8-7-11(9-14)21-13-6-4-3-5-12(13)15(16,17)18/h3-6,11,20H,2,7-9H2,1H3
InChIKeyPYPVLTAUCQXMRE-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.51
Rot. Bonds4

About 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile

1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile (PubChem CID 79638685) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile
PubChem CID79638685
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H17F3N2O/c1-2-20-14(10-19)8-7-11(9-14)21-13-6-4-3-5-12(13)15(16,17)18/h3-6,11,20H,2,7-9H2,1H3
InChIKeyPYPVLTAUCQXMRE-UHFFFAOYSA-N
XLogP3.51
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-3-(methylamino)-1-phenylpropoxy]-4-(trifluoromethyl)benzonitrile;hydrochloride
CID 54584872
4-[2-(Trifluoromethyl)phenoxy]piperidine
CID 5018790
4-(2-Methylphenoxy)piperidine
CID 3686170
2-(4-Piperidinyloxy)benzonitrile
CID 16732591
4-(2-(Trifluoromethyl)phenoxy)piperidine hydrochloride
CID 17178004
Methyl({3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl})amine hydrochloride
CID 23450930
(R)-2-(3-(methylamino)-1-phenylpropoxy)-4-(trifluoromethyl)benzonitrile hydrochloride
CID 54584873
2-[(1R)-3-(methylamino)-1-phenylpropoxy]benzonitrile
CID 9881794
N-{4-[3-(trifluoromethyl)phenoxy]butyl}cyclopentanamine oxalate
CID 2198979
2-[3-(Cyclopentylamino)propoxy]benzonitrile
CID 2199979
3-(4-fluoro-2-prop-2-enylphenoxy)-N-propan-2-ylpropan-1-amine
CID 9816423
(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine;hydrochloride
CID 11565842

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile (CID 79638685) is 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Oc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile?
The InChIKey is PYPVLTAUCQXMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-2-20-14(10-19)8-7-11(9-14)21-13-6-4-3-5-12(13)15(16,17)18/h3-6,11,20H,2,7-9H2,1H3.
What are the key properties of 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile?
1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile has a molecular weight of 298.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).