N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline

C21H19ClN2O2 — CID 110340211

IUPACN-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cccc(/C=N/Nc2ccccc2)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c1-25-20-9-5-6-17(14-23-24-19-7-3-2-4-8-19)21(20)26-15-16-10-12-18(22)13-11-16/h2-14,24H,15H2,1H3/b23-14+
InChIKeyGVJJNTVKJCKBJU-OEAKJJBVSA-N
MW366.85 g/mol
LogP5.37
Rot. Bonds7

About N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline

N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline (PubChem CID 110340211) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
PubChem CID110340211
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
SMILESCOc1cccc(/C=N/Nc2ccccc2)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c1-25-20-9-5-6-17(14-23-24-19-7-3-2-4-8-19)21(20)26-15-16-10-12-18(22)13-11-16/h2-14,24H,15H2,1H3/b23-14+
InChIKeyGVJJNTVKJCKBJU-OEAKJJBVSA-N
XLogP5.37
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]aniline
CID 126087402
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840474
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110840891
1-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 3632699
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842527
3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840470
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline (CID 110340211) is N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline is COc1cccc(/C=N/Nc2ccccc2)c1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
The InChIKey is GVJJNTVKJCKBJU-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-25-20-9-5-6-17(14-23-24-19-7-3-2-4-8-19)21(20)26-15-16-10-12-18(22)13-11-16/h2-14,24H,15H2,1H3/b23-14+.
What are the key properties of N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline?
N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline has a molecular weight of 366.85 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 110340211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).