2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine

C17H27NO2 — CID 79339418

IUPAC2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCCCOc1ccc(C=C(CNC)C(C)C)cc1OC
InChIInChI=1S/C17H27NO2/c1-6-9-20-16-8-7-14(11-17(16)19-5)10-15(12-18-4)13(2)3/h7-8,10-11,13,18H,6,9,12H2,1-5H3
InChIKeyKCTWGIRMYVGODQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.74
Rot. Bonds8

About 2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine

2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine (PubChem CID 79339418) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
PubChem CID79339418
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCCCOc1ccc(C=C(CNC)C(C)C)cc1OC
InChIInChI=1S/C17H27NO2/c1-6-9-20-16-8-7-14(11-17(16)19-5)10-15(12-18-4)13(2)3/h7-8,10-11,13,18H,6,9,12H2,1-5H3
InChIKeyKCTWGIRMYVGODQ-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

4-[2-(chloromethyl)-3-methylbut-1-enyl]-1-methoxy-2-propoxybenzene
CID 79334021
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79342187
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339699
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
CID 79341427
(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093109
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol
CID 79335808
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
1-methoxy-4-[(Z)-3-methyl-2-nitrobut-1-enyl]-2-propoxybenzene
CID 115347776
2-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methylbutanal
CID 79335181
1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
CID 129181829
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine (CID 79339418) is 2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine is CCCOc1ccc(C=C(CNC)C(C)C)cc1OC.
What is the InChIKey of 2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine?
The InChIKey is KCTWGIRMYVGODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-9-20-16-8-7-14(11-17(16)19-5)10-15(12-18-4)13(2)3/h7-8,10-11,13,18H,6,9,12H2,1-5H3.
What are the key properties of 2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine?
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-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-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79339418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).