2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine

C16H25NO — CID 79338864

IUPAC2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1cccc(C)c1C)CNCCOC
InChIInChI=1S/C16H25NO/c1-5-15(12-17-9-10-18-4)11-16-8-6-7-13(2)14(16)3/h6-8,11,17H,5,9-10,12H2,1-4H3
InChIKeyZAYWRIKPJDKGFZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds7

About 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine

2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 79338864) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
PubChem CID79338864
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1cccc(C)c1C)CNCCOC
InChIInChI=1S/C16H25NO/c1-5-15(12-17-9-10-18-4)11-16-8-6-7-13(2)14(16)3/h6-8,11,17H,5,9-10,12H2,1-4H3
InChIKeyZAYWRIKPJDKGFZ-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine
CID 79328889
2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338857
2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339677
2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
CID 79329088
N-(2-methoxyethyl)-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339046
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341715
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 83094731
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341727
2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine
CID 79329556
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-N-propylbutan-1-amine
CID 79329735
N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 104860914

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine (CID 79338864) is 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine is CCC(=Cc1cccc(C)c1C)CNCCOC.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is ZAYWRIKPJDKGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-15(12-17-9-10-18-4)11-16-8-6-7-13(2)14(16)3/h6-8,11,17H,5,9-10,12H2,1-4H3.
What are the key properties of 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 79338864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).