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

C16H18N2O2 — CID 110504926

IUPACN-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
SMILESCCOc1cccc(/C=N/Nc2ccccc2)c1OC
InChIInChI=1S/C16H18N2O2/c1-3-20-15-11-7-8-13(16(15)19-2)12-17-18-14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3/b17-12+
InChIKeyIDZWLRVPCDVDGN-SFQUDFHCSA-N
MW270.33 g/mol
LogP3.54
Rot. Bonds6

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

N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline (PubChem CID 110504926) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
PubChem CID110504926
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
SMILESCCOc1cccc(/C=N/Nc2ccccc2)c1OC
InChIInChI=1S/C16H18N2O2/c1-3-20-15-11-7-8-13(16(15)19-2)12-17-18-14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3/b17-12+
InChIKeyIDZWLRVPCDVDGN-SFQUDFHCSA-N
XLogP3.54
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.54
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'}

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Related Compounds

N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 169382456
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
CID 5223748
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515359
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
CID 9015411
ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate
CID 169383267
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
1-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-methylthiourea
CID 110508409
3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
CID 78597618

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline (CID 110504926) is N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline is CCOc1cccc(/C=N/Nc2ccccc2)c1OC.
What is the InChIKey of N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline?
The InChIKey is IDZWLRVPCDVDGN-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-20-15-11-7-8-13(16(15)19-2)12-17-18-14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3/b17-12+.
What are the key properties of N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline?
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline has a molecular weight of 270.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110504926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).