3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline

C18H21ClN2O3 — CID 110505280

IUPAC3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
SMILESCCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1OCC
InChIInChI=1S/C18H21ClN2O3/c1-4-23-17-8-6-13(10-18(17)24-5-2)12-20-21-14-7-9-16(22-3)15(19)11-14/h6-12,21H,4-5H2,1-3H3/b20-12+
InChIKeyAAPATUKZLUFGEY-UDWIEESQSA-N
MW348.83 g/mol
LogP4.59
Rot. Bonds8

About 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline

3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline (PubChem CID 110505280) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
PubChem CID110505280
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
SMILESCCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1OCC
InChIInChI=1S/C18H21ClN2O3/c1-4-23-17-8-6-13(10-18(17)24-5-2)12-20-21-14-7-9-16(22-3)15(19)11-14/h6-12,21H,4-5H2,1-3H3/b20-12+
InChIKeyAAPATUKZLUFGEY-UDWIEESQSA-N
XLogP4.59
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505319
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-chloro-4-methylaniline
CID 110506495
2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
CID 5097716
3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505261
3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]aniline
CID 110840523
2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712103
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3407751
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841574
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 139068939

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline?
The IUPAC name of 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline (CID 110505280) is 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline is CCOc1ccc(/C=N/Nc2ccc(OC)c(Cl)c2)cc1OCC.
What is the InChIKey of 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline?
The InChIKey is AAPATUKZLUFGEY-UDWIEESQSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-4-23-17-8-6-13(10-18(17)24-5-2)12-20-21-14-7-9-16(22-3)15(19)11-14/h6-12,21H,4-5H2,1-3H3/b20-12+.
What are the key properties of 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline?
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline has a molecular weight of 348.83 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline is sourced from PubChem (CID 110505280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).