4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline

C18H20Cl2N2O2 — CID 110506129

IUPAC4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1c(Cl)cc(/C=N/Nc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C18H20Cl2N2O2/c1-3-9-24-18-16(20)10-13(11-17(18)23-4-2)12-21-22-15-7-5-14(19)6-8-15/h5-8,10-12,22H,3-4,9H2,1-2H3/b21-12+
InChIKeyFYANQRJUQVYEMR-CIAFOILYSA-N
MW367.28 g/mol
LogP5.63
Rot. Bonds8

About 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline

4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline (PubChem CID 110506129) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
PubChem CID110506129
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1c(Cl)cc(/C=N/Nc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C18H20Cl2N2O2/c1-3-9-24-18-16(20)10-13(11-17(18)23-4-2)12-21-22-15-7-5-14(19)6-8-15/h5-8,10-12,22H,3-4,9H2,1-2H3/b21-12+
InChIKeyFYANQRJUQVYEMR-CIAFOILYSA-N
XLogP5.63
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 55.63
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'}

Analyze 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-chloroaniline
CID 7971829
4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
CID 110506062
N-[(3,5-dichloro-4-propoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841966
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 169383336
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169228
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505520
N-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504886
4-chloro-N-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]aniline
CID 50887152
4-chloro-N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110506116
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135675775
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515314
2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline (CID 110506129) is 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline is CCCOc1c(Cl)cc(/C=N/Nc2ccc(Cl)cc2)cc1OCC.
What is the InChIKey of 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline?
The InChIKey is FYANQRJUQVYEMR-CIAFOILYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-3-9-24-18-16(20)10-13(11-17(18)23-4-2)12-21-22-15-7-5-14(19)6-8-15/h5-8,10-12,22H,3-4,9H2,1-2H3/b21-12+.
What are the key properties of 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline?
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline has a molecular weight of 367.28 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110506129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).