2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine

C16H25NO3 — CID 79338857

IUPAC2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1cc(OC)ccc1OC)CNCCOC
InChIInChI=1S/C16H25NO3/c1-5-13(12-17-8-9-18-2)10-14-11-15(19-3)6-7-16(14)20-4/h6-7,10-11,17H,5,8-9,12H2,1-4H3
InChIKeyICEBULGWNLMKCW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.73
Rot. Bonds9

About 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine

2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 79338857) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
PubChem CID79338857
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1cc(OC)ccc1OC)CNCCOC
InChIInChI=1S/C16H25NO3/c1-5-13(12-17-8-9-18-2)10-14-11-15(19-3)6-7-16(14)20-4/h6-7,10-11,17H,5,8-9,12H2,1-4H3
InChIKeyICEBULGWNLMKCW-UHFFFAOYSA-N
XLogP2.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine
CID 79330031
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341715
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341727
2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338864
2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339677
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-(2-methoxyethyl)-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339046
1,4-dimethoxy-2-[(E)-2-nitrobut-1-enyl]benzene
CID 55016919
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912543
2-[(3-bromo-4-methoxyphenyl)methylidene]-N-propylbutan-1-amine
CID 79328867
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine (CID 79338857) is 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine is CCC(=Cc1cc(OC)ccc1OC)CNCCOC.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is ICEBULGWNLMKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-13(12-17-8-9-18-2)10-14-11-15(19-3)6-7-16(14)20-4/h6-7,10-11,17H,5,8-9,12H2,1-4H3.
What are the key properties of 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 79338857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).