1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine

C21H20N2O — CID 110839709

IUPAC1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine
SMILESC(=NNCc1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H20N2O/c1-3-9-18(10-4-1)15-22-23-16-20-13-7-8-14-21(20)24-17-19-11-5-2-6-12-19/h1-14,16,22H,15,17H2
InChIKeyRPGDFZFUTQDTMW-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.39
Rot. Bonds7

About 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine

1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine (PubChem CID 110839709) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine
PubChem CID110839709
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine
SMILESC(=NNCc1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H20N2O/c1-3-9-18(10-4-1)15-22-23-16-20-13-7-8-14-21(20)24-17-19-11-5-2-6-12-19/h1-14,16,22H,15,17H2
InChIKeyRPGDFZFUTQDTMW-UHFFFAOYSA-N
XLogP4.39
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.39
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'}

Analyze 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 29147383
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
(2-phenylmethoxyphenyl)methylidenehydrazine
CID 78678885
1-methyl-3-[(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4159494
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
1-methyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7575217
4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 92658404
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine?
The IUPAC name of 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine (CID 110839709) is 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine is C(=NNCc1ccccc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine?
The InChIKey is RPGDFZFUTQDTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-3-9-18(10-4-1)15-22-23-16-20-13-7-8-14-21(20)24-17-19-11-5-2-6-12-19/h1-14,16,22H,15,17H2.
What are the key properties of 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine?
1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine has a molecular weight of 316.40 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 110839709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).