2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine

C17H27NO2 — CID 79329371

IUPAC2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(=Cc1ccc(OC)c(OC)c1)CNCC(C)C
InChIInChI=1S/C17H27NO2/c1-6-14(12-18-11-13(2)3)9-15-7-8-16(19-4)17(10-15)20-5/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyJPMWDPSAGVZFJM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.74
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine

2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine (PubChem CID 79329371) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
PubChem CID79329371
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(=Cc1ccc(OC)c(OC)c1)CNCC(C)C
InChIInChI=1S/C17H27NO2/c1-6-14(12-18-11-13(2)3)9-15-7-8-16(19-4)17(10-15)20-5/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyJPMWDPSAGVZFJM-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-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339218
N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
CID 79330140
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
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339654
2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79330355
2-[(3-bromo-4-methoxyphenyl)methylidene]-N-propylbutan-1-amine
CID 79328867
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79341702
2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine
CID 79330304
2-[(4-bromo-3-nitrophenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79330384
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]butan-1-amine
CID 79322998

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine (CID 79329371) is 2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine is CCC(=Cc1ccc(OC)c(OC)c1)CNCC(C)C.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is JPMWDPSAGVZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-14(12-18-11-13(2)3)9-15-7-8-16(19-4)17(10-15)20-5/h7-10,13,18H,6,11-12H2,1-5H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-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-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79329371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).