4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile

C16H14N2O — CID 70814754

IUPAC4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(C3CC3N)cc2)cc1
InChIInChI=1S/C16H14N2O/c17-10-11-1-5-13(6-2-11)19-14-7-3-12(4-8-14)15-9-16(15)18/h1-8,15-16H,9,18H2
InChIKeyKVPRZIMKWPRFFS-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.17
Rot. Bonds3

About 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile

4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile (PubChem CID 70814754) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile
PubChem CID70814754
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(C3CC3N)cc2)cc1
InChIInChI=1S/C16H14N2O/c17-10-11-1-5-13(6-2-11)19-14-7-3-12(4-8-14)15-9-16(15)18/h1-8,15-16H,9,18H2
InChIKeyKVPRZIMKWPRFFS-UHFFFAOYSA-N
XLogP3.17
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile?
The IUPAC name of 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile (CID 70814754) is 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile.
What is the SMILES notation for 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile?
The canonical SMILES for 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile is N#Cc1ccc(Oc2ccc(C3CC3N)cc2)cc1.
What is the InChIKey of 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile?
The InChIKey is KVPRZIMKWPRFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-10-11-1-5-13(6-2-11)19-14-7-3-12(4-8-14)15-9-16(15)18/h1-8,15-16H,9,18H2.
What are the key properties of 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile?
4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile has a molecular weight of 250.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile is sourced from PubChem (CID 70814754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).