1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone

C17H17NO2 — CID 693758

IUPAC1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
SMILESCCOc1ccccc1/C=N/c1cccc(C(C)=O)c1
InChIInChI=1S/C17H17NO2/c1-3-20-17-10-5-4-7-15(17)12-18-16-9-6-8-14(11-16)13(2)19/h4-12H,3H2,1-2H3/b18-12+
InChIKeyDBOWMZZJRVANND-LDADJPATSA-N
MW267.33 g/mol
LogP4.04
Rot. Bonds5

About 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone

1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone (PubChem CID 693758) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
PubChem CID693758
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
SMILESCCOc1ccccc1/C=N/c1cccc(C(C)=O)c1
InChIInChI=1S/C17H17NO2/c1-3-20-17-10-5-4-7-15(17)12-18-16-9-6-8-14(11-16)13(2)19/h4-12H,3H2,1-2H3/b18-12+
InChIKeyDBOWMZZJRVANND-LDADJPATSA-N
XLogP4.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
3-[(2,4-diethoxyphenyl)methylideneamino]benzoic acid
CID 23991610
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
N-(3-acetylphenyl)-2-[(E)-(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 16545197
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 969228
1-(2-ethoxyphenyl)-N-(1H-indol-6-yl)methanimine
CID 19058665

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone (CID 693758) is 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone is CCOc1ccccc1/C=N/c1cccc(C(C)=O)c1.
What is the InChIKey of 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone?
The InChIKey is DBOWMZZJRVANND-LDADJPATSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-20-17-10-5-4-7-15(17)12-18-16-9-6-8-14(11-16)13(2)19/h4-12H,3H2,1-2H3/b18-12+.
What are the key properties of 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone?
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 693758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).