N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline

C20H18N2O — CID 110337114

IUPACN-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
SMILESC(=N/Nc1ccccc1)\c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H18N2O/c1-3-9-17(10-4-1)16-23-20-14-8-7-11-18(20)15-21-22-19-12-5-2-6-13-19/h1-15,22H,16H2/b21-15+
InChIKeyAFIVRHITBUOOGO-RCCKNPSSSA-N
MW302.38 g/mol
LogP4.71
Rot. Bonds6

About N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline

N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline (PubChem CID 110337114) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
PubChem CID110337114
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
SMILESC(=N/Nc1ccccc1)\c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H18N2O/c1-3-9-17(10-4-1)16-23-20-14-8-7-11-18(20)15-21-22-19-12-5-2-6-13-19/h1-15,22H,16H2/b21-15+
InChIKeyAFIVRHITBUOOGO-RCCKNPSSSA-N
XLogP4.71
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.71
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

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
N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline
CID 169382893
N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382695
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110839709
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383060
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline (CID 110337114) is N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline is C(=N/Nc1ccccc1)\c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline?
The InChIKey is AFIVRHITBUOOGO-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H18N2O/c1-3-9-17(10-4-1)16-23-20-14-8-7-11-18(20)15-21-22-19-12-5-2-6-13-19/h1-15,22H,16H2/b21-15+.
What are the key properties of N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline?
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline has a molecular weight of 302.38 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110337114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).