2-(2-aminophenoxy)cyclohexane-1-carbonitrile

C13H16N2O — CID 117095468

IUPAC2-(2-aminophenoxy)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Oc1ccccc1N
InChIInChI=1S/C13H16N2O/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15/h2,4,6,8,10,12H,1,3,5,7,15H2
InChIKeyPZVHHZWHNCCKFY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.73
Rot. Bonds2

About 2-(2-aminophenoxy)cyclohexane-1-carbonitrile

2-(2-aminophenoxy)cyclohexane-1-carbonitrile (PubChem CID 117095468) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-aminophenoxy)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-aminophenoxy)cyclohexane-1-carbonitrile
PubChem CID117095468
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(2-aminophenoxy)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Oc1ccccc1N
InChIInChI=1S/C13H16N2O/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15/h2,4,6,8,10,12H,1,3,5,7,15H2
InChIKeyPZVHHZWHNCCKFY-UHFFFAOYSA-N
XLogP2.73
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-aminophenoxy)cyclohexane-1-carbonitrile (CID 117095468) is 2-(2-aminophenoxy)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-aminophenoxy)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-aminophenoxy)cyclohexane-1-carbonitrile is N#CC1CCCCC1Oc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)cyclohexane-1-carbonitrile?
The InChIKey is PZVHHZWHNCCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15/h2,4,6,8,10,12H,1,3,5,7,15H2.
What are the key properties of 2-(2-aminophenoxy)cyclohexane-1-carbonitrile?
2-(2-aminophenoxy)cyclohexane-1-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)cyclohexane-1-carbonitrile is sourced from PubChem (CID 117095468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).