N-[(3-ethoxyphenyl)methylideneamino]aniline

C15H16N2O — CID 169381619

IUPACN-[(3-ethoxyphenyl)methylideneamino]aniline
SMILESCCOc1cccc(C=NNc2ccccc2)c1
InChIInChI=1S/C15H16N2O/c1-2-18-15-10-6-7-13(11-15)12-16-17-14-8-4-3-5-9-14/h3-12,17H,2H2,1H3
InChIKeyLENVGGVHXATRBS-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.53
Rot. Bonds5

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

N-[(3-ethoxyphenyl)methylideneamino]aniline (PubChem CID 169381619) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methylideneamino]aniline
PubChem CID169381619
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[(3-ethoxyphenyl)methylideneamino]aniline
SMILESCCOc1cccc(C=NNc2ccccc2)c1
InChIInChI=1S/C15H16N2O/c1-2-18-15-10-6-7-13(11-15)12-16-17-14-8-4-3-5-9-14/h3-12,17H,2H2,1H3
InChIKeyLENVGGVHXATRBS-UHFFFAOYSA-N
XLogP3.53
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.53
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

N-[[3-(2-methoxyethoxy)phenyl]methylideneamino]aniline
CID 169382542
N-[(3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842391
N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839888
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277708
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110506310
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 27277699
N-butyl-1-(3-ethoxyphenyl)methanimine
CID 584358
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506439
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3-ethoxyphenyl)methylideneamino]aniline (CID 169381619) is N-[(3-ethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3-ethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3-ethoxyphenyl)methylideneamino]aniline is CCOc1cccc(C=NNc2ccccc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methylideneamino]aniline?
The InChIKey is LENVGGVHXATRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-18-15-10-6-7-13(11-15)12-16-17-14-8-4-3-5-9-14/h3-12,17H,2H2,1H3.
What are the key properties of N-[(3-ethoxyphenyl)methylideneamino]aniline?
N-[(3-ethoxyphenyl)methylideneamino]aniline has a molecular weight of 240.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169381619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).