2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile

C15H19FN2 — CID 62743682

IUPAC2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCCc1ccc(F)cc1
InChIInChI=1S/C15H19FN2/c16-14-7-5-12(6-8-14)9-10-18-15-4-2-1-3-13(15)11-17/h5-8,13,15,18H,1-4,9-10H2
InChIKeyJMAWYOPWLHOAFM-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.04
Rot. Bonds4

About 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile

2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile (PubChem CID 62743682) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
PubChem CID62743682
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCCc1ccc(F)cc1
InChIInChI=1S/C15H19FN2/c16-14-7-5-12(6-8-14)9-10-18-15-4-2-1-3-13(15)11-17/h5-8,13,15,18H,1-4,9-10H2
InChIKeyJMAWYOPWLHOAFM-UHFFFAOYSA-N
XLogP3.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenylpropylamino)cyclohexane-1-carbonitrile
CID 62742230
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile
CID 62743130
trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 791642
(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine
CID 112739931
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600
2-[2-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 114140415
(3R,4R)-4-[2-(4-fluorophenyl)ethylamino]pyrrolidin-3-ol
CID 126847066
2-[(2-bromo-5-fluorophenyl)methylamino]cycloheptane-1-carbonitrile
CID 62741326
2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692
2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile
CID 62742394
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62742248

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile (CID 62743682) is 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile is N#CC1CCCCC1NCCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile?
The InChIKey is JMAWYOPWLHOAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c16-14-7-5-12(6-8-14)9-10-18-15-4-2-1-3-13(15)11-17/h5-8,13,15,18H,1-4,9-10H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile?
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62743682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).