2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline

C16H15Cl3N2O2 — CID 5097716

IUPAC2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
SMILESCCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H15Cl3N2O2/c1-3-23-14-5-4-10(6-15(14)22-2)9-20-21-16-12(18)7-11(17)8-13(16)19/h4-9,21H,3H2,1-2H3
InChIKeyHPPIPDZBVPWQSN-UHFFFAOYSA-N
MW373.67 g/mol
LogP5.50
Rot. Bonds6

About 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline

2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline (PubChem CID 5097716) has the molecular formula C16H15Cl3N2O2 and a molecular weight of 373.67 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
PubChem CID5097716
Molecular FormulaC16H15Cl3N2O2
Molecular Weight373.67 g/mol
Exact Mass372.02
IUPAC Name2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
SMILESCCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H15Cl3N2O2/c1-3-23-14-5-4-10(6-15(14)22-2)9-20-21-16-12(18)7-11(17)8-13(16)19/h4-9,21H,3H2,1-2H3
InChIKeyHPPIPDZBVPWQSN-UHFFFAOYSA-N
XLogP5.50
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 55.50
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 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)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

3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
7-chloro-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 6064369
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6217597
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
1-(4-chlorophenyl)-3-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]urea
CID 110535990
2,4,6-trichloro-N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]aniline
CID 46496624
2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline
CID 3791654
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline
CID 5223162
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 139068939

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline (CID 5097716) is 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline is CCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline?
The InChIKey is HPPIPDZBVPWQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O2/c1-3-23-14-5-4-10(6-15(14)22-2)9-20-21-16-12(18)7-11(17)8-13(16)19/h4-9,21H,3H2,1-2H3.
What are the key properties of 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline?
2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline has a molecular weight of 373.67 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 5097716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).