N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline

C17H20N2O3 — CID 110509051

IUPACN-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
SMILESCCOc1cccc(/C=N/Nc2ccc(OC)cc2)c1OC
InChIInChI=1S/C17H20N2O3/c1-4-22-16-7-5-6-13(17(16)21-3)12-18-19-14-8-10-15(20-2)11-9-14/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyITQXHEZISVZGNS-LDADJPATSA-N
MW300.36 g/mol
LogP3.55
Rot. Bonds7

About N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline

N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline (PubChem CID 110509051) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
PubChem CID110509051
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
SMILESCCOc1cccc(/C=N/Nc2ccc(OC)cc2)c1OC
InChIInChI=1S/C17H20N2O3/c1-4-22-16-7-5-6-13(17(16)21-3)12-18-19-14-8-10-15(20-2)11-9-14/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyITQXHEZISVZGNS-LDADJPATSA-N
XLogP3.55
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 169382456
4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
CID 9015411
1-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-methylthiourea
CID 110508409
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535173
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
CID 110506232
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515359
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
CID 5223748

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline?
The IUPAC name of N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline (CID 110509051) is N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline.
What is the SMILES notation for N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline?
The canonical SMILES for N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline is CCOc1cccc(/C=N/Nc2ccc(OC)cc2)c1OC.
What is the InChIKey of N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline?
The InChIKey is ITQXHEZISVZGNS-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-22-16-7-5-6-13(17(16)21-3)12-18-19-14-8-10-15(20-2)11-9-14/h5-12,19H,4H2,1-3H3/b18-12+.
What are the key properties of N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline?
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline has a molecular weight of 300.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline is sourced from PubChem (CID 110509051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).