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

C15H19FN2 — CID 62742248

IUPAC2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
SMILESCC(NC1CCCCC1C#N)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2/c1-11(12-6-8-14(16)9-7-12)18-15-5-3-2-4-13(15)10-17/h6-9,11,13,15,18H,2-5H2,1H3
InChIKeyIFAOMWUSAAFWRC-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.56
Rot. Bonds3

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

2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile (PubChem CID 62742248) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
PubChem CID62742248
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
SMILESCC(NC1CCCCC1C#N)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2/c1-11(12-6-8-14(16)9-7-12)18-15-5-3-2-4-13(15)10-17/h6-9,11,13,15,18H,2-5H2,1H3
InChIKeyIFAOMWUSAAFWRC-UHFFFAOYSA-N
XLogP3.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
CID 81357000
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81351968
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434
2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
CID 62960931
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81346875
2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 55154369
N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766679
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile (CID 62742248) is 2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile is CC(NC1CCCCC1C#N)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile?
The InChIKey is IFAOMWUSAAFWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-11(12-6-8-14(16)9-7-12)18-15-5-3-2-4-13(15)10-17/h6-9,11,13,15,18H,2-5H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile?
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62742248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).