N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine

C15H16N2O — CID 110337182

IUPACN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
SMILESCN/N=C/c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H16N2O/c1-16-17-11-14-8-5-9-15(10-14)18-12-13-6-3-2-4-7-13/h2-11,16H,12H2,1H3/b17-11+
InChIKeyOQWHTMUMSCOVPE-GZTJUZNOSA-N
MW240.31 g/mol
LogP2.82
Rot. Bonds5

About N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine

N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine (PubChem CID 110337182) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
PubChem CID110337182
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
SMILESCN/N=C/c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H16N2O/c1-16-17-11-14-8-5-9-15(10-14)18-12-13-6-3-2-4-7-13/h2-11,16H,12H2,1H3/b17-11+
InChIKeyOQWHTMUMSCOVPE-GZTJUZNOSA-N
XLogP2.82
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.82
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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Related Compounds

1-methyl-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7728948
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340663
2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline
CID 4643919
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
1-benzyl-3-[(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 1348293
2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 6313295
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110507323
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
1-(2-methylphenyl)-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 6904284

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine?
The IUPAC name of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine (CID 110337182) is N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine is CN/N=C/c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine?
The InChIKey is OQWHTMUMSCOVPE-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H16N2O/c1-16-17-11-14-8-5-9-15(10-14)18-12-13-6-3-2-4-7-13/h2-11,16H,12H2,1H3/b17-11+.
What are the key properties of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine?
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 110337182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).