1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine

C17H29NO3 — CID 116720003

IUPAC1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCCOc1ccc(C(NC)C(OC)C(C)C)cc1OCC
InChIInChI=1S/C17H29NO3/c1-7-20-14-10-9-13(11-15(14)21-8-2)16(18-5)17(19-6)12(3)4/h9-12,16-18H,7-8H2,1-6H3
InChIKeyBSUAYPWOQLFICF-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.42
Rot. Bonds9

About 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine

1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 116720003) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
PubChem CID116720003
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCCOc1ccc(C(NC)C(OC)C(C)C)cc1OCC
InChIInChI=1S/C17H29NO3/c1-7-20-14-10-9-13(11-15(14)21-8-2)16(18-5)17(19-6)12(3)4/h9-12,16-18H,7-8H2,1-6H3
InChIKeyBSUAYPWOQLFICF-UHFFFAOYSA-N
XLogP3.42
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518492
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720295
2-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]-3-methylbutanenitrile
CID 116960687
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
2-methoxy-1-(3-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116719987
[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265233
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine (CID 116720003) is 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine is CCOc1ccc(C(NC)C(OC)C(C)C)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is BSUAYPWOQLFICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-7-20-14-10-9-13(11-15(14)21-8-2)16(18-5)17(19-6)12(3)4/h9-12,16-18H,7-8H2,1-6H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116720003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).