(4-phenoxyphenyl)methylazanium

C13H14NO+ — CID 7021744

IUPAC(4-phenoxyphenyl)methylazanium
SMILES[NH3+]Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2/p+1
InChIKeyCCAZAGUSBMVSAR-UHFFFAOYSA-O
MW200.26 g/mol
LogP2.22
Rot. Bonds3

About (4-phenoxyphenyl)methylazanium

(4-phenoxyphenyl)methylazanium (PubChem CID 7021744) has the molecular formula C13H14NO+ and a molecular weight of 200.26 g/mol. Its IUPAC name is (4-phenoxyphenyl)methylazanium.

Molecular Properties

Compound Name(4-phenoxyphenyl)methylazanium
PubChem CID7021744
Molecular FormulaC13H14NO+
Molecular Weight200.26 g/mol
Exact Mass200.11
IUPAC Name(4-phenoxyphenyl)methylazanium
SMILES[NH3+]Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2/p+1
InChIKeyCCAZAGUSBMVSAR-UHFFFAOYSA-O
XLogP2.22
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)methylazanium?
The IUPAC name of (4-phenoxyphenyl)methylazanium (CID 7021744) is (4-phenoxyphenyl)methylazanium.
What is the SMILES notation for (4-phenoxyphenyl)methylazanium?
The canonical SMILES for (4-phenoxyphenyl)methylazanium is [NH3+]Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-phenoxyphenyl)methylazanium?
The InChIKey is CCAZAGUSBMVSAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2/p+1.
What are the key properties of (4-phenoxyphenyl)methylazanium?
(4-phenoxyphenyl)methylazanium has a molecular weight of 200.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)methylazanium is sourced from PubChem (CID 7021744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).