N-phenylmethoxyaniline

C13H13NO — CID 12589378

IUPACN-phenylmethoxyaniline
SMILESc1ccc(CONc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c1-3-7-12(8-4-1)11-15-14-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyKUVIRDUPAGKTER-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.23
Rot. Bonds4

About N-phenylmethoxyaniline

N-phenylmethoxyaniline (PubChem CID 12589378) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-phenylmethoxyaniline.

Molecular Properties

Compound NameN-phenylmethoxyaniline
PubChem CID12589378
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-phenylmethoxyaniline
SMILESc1ccc(CONc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c1-3-7-12(8-4-1)11-15-14-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyKUVIRDUPAGKTER-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyaniline?
The IUPAC name of N-phenylmethoxyaniline (CID 12589378) is N-phenylmethoxyaniline.
What is the SMILES notation for N-phenylmethoxyaniline?
The canonical SMILES for N-phenylmethoxyaniline is c1ccc(CONc2ccccc2)cc1.
What is the InChIKey of N-phenylmethoxyaniline?
The InChIKey is KUVIRDUPAGKTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-7-12(8-4-1)11-15-14-13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of N-phenylmethoxyaniline?
N-phenylmethoxyaniline has a molecular weight of 199.25 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyaniline is sourced from PubChem (CID 12589378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).