N-[(4-phenoxyphenyl)methylideneamino]methanamine

C14H14N2O — CID 110839619

IUPACN-[(4-phenoxyphenyl)methylideneamino]methanamine
SMILESCNN=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H14N2O/c1-15-16-11-12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-11,15H,1H3
InChIKeyMZHHAIRCESEHEB-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.03
Rot. Bonds4

About N-[(4-phenoxyphenyl)methylideneamino]methanamine

N-[(4-phenoxyphenyl)methylideneamino]methanamine (PubChem CID 110839619) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methylideneamino]methanamine
PubChem CID110839619
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-[(4-phenoxyphenyl)methylideneamino]methanamine
SMILESCNN=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H14N2O/c1-15-16-11-12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-11,15H,1H3
InChIKeyMZHHAIRCESEHEB-UHFFFAOYSA-N
XLogP3.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methylideneamino]methanamine?
The IUPAC name of N-[(4-phenoxyphenyl)methylideneamino]methanamine (CID 110839619) is N-[(4-phenoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(4-phenoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(4-phenoxyphenyl)methylideneamino]methanamine is CNN=Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(4-phenoxyphenyl)methylideneamino]methanamine?
The InChIKey is MZHHAIRCESEHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-15-16-11-12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-11,15H,1H3.
What are the key properties of N-[(4-phenoxyphenyl)methylideneamino]methanamine?
N-[(4-phenoxyphenyl)methylideneamino]methanamine has a molecular weight of 226.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 110839619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).