2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine

C17H27NO2 — CID 79339699

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(=Cc1ccc(OCC)c(OC)c1)C(C)C
InChIInChI=1S/C17H27NO2/c1-6-18-12-15(13(3)4)10-14-8-9-16(20-7-2)17(11-14)19-5/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyVXMFQZHEUPQIMC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.74
Rot. Bonds8

About 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine

2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine (PubChem CID 79339699) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
PubChem CID79339699
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(=Cc1ccc(OCC)c(OC)c1)C(C)C
InChIInChI=1S/C17H27NO2/c1-6-18-12-15(13(3)4)10-14-8-9-16(20-7-2)17(11-14)19-5/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyVXMFQZHEUPQIMC-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79342187
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol
CID 79335808
N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79338705
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutanal
CID 79335307
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339418
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
CID 79341427
2-[(3-ethoxy-2-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339431
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339654
N-ethyl-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79329986
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341727

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine (CID 79339699) is 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine is CCNCC(=Cc1ccc(OCC)c(OC)c1)C(C)C.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is VXMFQZHEUPQIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-18-12-15(13(3)4)10-14-8-9-16(20-7-2)17(11-14)19-5/h8-11,13,18H,6-7,12H2,1-5H3.
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine?
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 79339699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).