N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline

C21H20N2O — CID 110339561

IUPACN-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1ccc(COc2ccccc2/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c1-17-11-13-18(14-12-17)16-24-21-10-6-5-7-19(21)15-22-23-20-8-3-2-4-9-20/h2-15,23H,16H2,1H3/b22-15+
InChIKeyYCUBOMZMYJTITM-PXLXIMEGSA-N
MW316.40 g/mol
LogP5.02
Rot. Bonds6

About N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline

N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 110339561) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID110339561
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1ccc(COc2ccccc2/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c1-17-11-13-18(14-12-17)16-24-21-10-6-5-7-19(21)15-22-23-20-8-3-2-4-9-20/h2-15,23H,16H2,1H3/b22-15+
InChIKeyYCUBOMZMYJTITM-PXLXIMEGSA-N
XLogP5.02
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.02
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-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840263
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline
CID 110841580
2-[(2E)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339562
N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 42337280
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
4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
CID 8893950
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline (CID 110339561) is N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline is Cc1ccc(COc2ccccc2/C=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is YCUBOMZMYJTITM-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H20N2O/c1-17-11-13-18(14-12-17)16-24-21-10-6-5-7-19(21)15-22-23-20-8-3-2-4-9-20/h2-15,23H,16H2,1H3/b22-15+.
What are the key properties of N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 316.40 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 110339561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).