3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane

C11H17ClN2O — CID 143225818

IUPAC3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane
SMILESC/C=N/Nc1ccc(OC)c(Cl)c1.CC
InChIInChI=1S/C9H11ClN2O.C2H6/c1-3-11-12-7-4-5-9(13-2)8(10)6-7;1-2/h3-6,12H,1-2H3;1-2H3/b11-3+;
InChIKeyJJDASNIJMHJWTA-KODGKZAJSA-N
MW228.72 g/mol
LogP3.79
Rot. Bonds3

About 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane

3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane (PubChem CID 143225818) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane.

Molecular Properties

Compound Name3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane
PubChem CID143225818
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane
SMILESC/C=N/Nc1ccc(OC)c(Cl)c1.CC
InChIInChI=1S/C9H11ClN2O.C2H6/c1-3-11-12-7-4-5-9(13-2)8(10)6-7;1-2/h3-6,12H,1-2H3;1-2H3/b11-3+;
InChIKeyJJDASNIJMHJWTA-KODGKZAJSA-N
XLogP3.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.79
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-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
CID 110505388
2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712103
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
3-chloro-4-methoxy-N-[(E)-(2-propoxyphenyl)methylideneamino]aniline
CID 110505389
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
3-chloro-4-methoxy-N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 110505378
3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505261
3-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505319
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane?
The IUPAC name of 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane (CID 143225818) is 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane.
What is the SMILES notation for 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane?
The canonical SMILES for 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane is C/C=N/Nc1ccc(OC)c(Cl)c1.CC.
What is the InChIKey of 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane?
The InChIKey is JJDASNIJMHJWTA-KODGKZAJSA-N. The full InChI is InChI=1S/C9H11ClN2O.C2H6/c1-3-11-12-7-4-5-9(13-2)8(10)6-7;1-2/h3-6,12H,1-2H3;1-2H3/b11-3+;.
What are the key properties of 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane?
3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane has a molecular weight of 228.72 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane is sourced from PubChem (CID 143225818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).