N-phenoxy-1-phenylmethanamine

C13H13NO — CID 12617696

IUPACN-phenoxy-1-phenylmethanamine
SMILESc1ccc(CNOc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c1-3-7-12(8-4-1)11-14-15-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyYXMXAXHPRPWBJB-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.77
Rot. Bonds4

About N-phenoxy-1-phenylmethanamine

N-phenoxy-1-phenylmethanamine (PubChem CID 12617696) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-phenoxy-1-phenylmethanamine.

Molecular Properties

Compound NameN-phenoxy-1-phenylmethanamine
PubChem CID12617696
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-phenoxy-1-phenylmethanamine
SMILESc1ccc(CNOc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c1-3-7-12(8-4-1)11-14-15-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyYXMXAXHPRPWBJB-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-phenoxy-1-phenylmethanamine?
The IUPAC name of N-phenoxy-1-phenylmethanamine (CID 12617696) is N-phenoxy-1-phenylmethanamine.
What is the SMILES notation for N-phenoxy-1-phenylmethanamine?
The canonical SMILES for N-phenoxy-1-phenylmethanamine is c1ccc(CNOc2ccccc2)cc1.
What is the InChIKey of N-phenoxy-1-phenylmethanamine?
The InChIKey is YXMXAXHPRPWBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-7-12(8-4-1)11-14-15-13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of N-phenoxy-1-phenylmethanamine?
N-phenoxy-1-phenylmethanamine has a molecular weight of 199.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenoxy-1-phenylmethanamine is sourced from PubChem (CID 12617696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).