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

C21H19ClN2O — CID 110840677

IUPAC4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1ccccc1COc1ccccc1C=NNc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O/c1-16-6-2-3-8-18(16)15-25-21-9-5-4-7-17(21)14-23-24-20-12-10-19(22)11-13-20/h2-14,24H,15H2,1H3
InChIKeyCNSIVXQJXNTMLT-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.67
Rot. Bonds6

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

4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 110840677) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID110840677
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1ccccc1COc1ccccc1C=NNc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O/c1-16-6-2-3-8-18(16)15-25-21-9-5-4-7-17(21)14-23-24-20-12-10-19(22)11-13-20/h2-14,24H,15H2,1H3
InChIKeyCNSIVXQJXNTMLT-UHFFFAOYSA-N
XLogP5.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.67
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

4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110338654
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840868
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
1-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3568112
2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110338657
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382696
N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382695
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
2-hydroxy-2-methyl-N-[(Z)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]propanamide
CID 39818823
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
CID 96881846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline (CID 110840677) is 4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline is Cc1ccccc1COc1ccccc1C=NNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is CNSIVXQJXNTMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-16-6-2-3-8-18(16)15-25-21-9-5-4-7-17(21)14-23-24-20-12-10-19(22)11-13-20/h2-14,24H,15H2,1H3.
What are the key properties of 4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 350.85 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 110840677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).