3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline

C15H15ClN2O — CID 78597618

IUPAC3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
SMILESCCOc1ccccc1C=NNc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-2-19-15-9-4-3-6-12(15)11-17-18-14-8-5-7-13(16)10-14/h3-11,18H,2H2,1H3
InChIKeyQXFZSXVPBRJDQX-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.18
Rot. Bonds5

About 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline

3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline (PubChem CID 78597618) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
PubChem CID78597618
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
SMILESCCOc1ccccc1C=NNc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-2-19-15-9-4-3-6-12(15)11-17-18-14-8-5-7-13(16)10-14/h3-11,18H,2H2,1H3
InChIKeyQXFZSXVPBRJDQX-UHFFFAOYSA-N
XLogP4.18
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.18
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-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
3-chloro-N-[[2-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110840296
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840263
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-chloro-4-[[(3-chlorophenyl)hydrazinylidene]methyl]-6-ethoxyphenol
CID 136704630
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789686
3-chloro-4-methoxy-N-[(E)-(2-propoxyphenyl)methylideneamino]aniline
CID 110505389
4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
CID 9015411

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline (CID 78597618) is 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline is CCOc1ccccc1C=NNc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline?
The InChIKey is QXFZSXVPBRJDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-19-15-9-4-3-6-12(15)11-17-18-14-8-5-7-13(16)10-14/h3-11,18H,2H2,1H3.
What are the key properties of 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline?
3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline has a molecular weight of 274.75 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 78597618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).