1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine

C15H25NO3 — CID 116716616

IUPAC1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-12(19-7-2)15(16-3)11-8-9-13(17-4)14(10-11)18-5/h8-10,12,15-16H,6-7H2,1-5H3
InChIKeyCIWSGWBBBYFVIZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine

1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine (PubChem CID 116716616) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine
PubChem CID116716616
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-12(19-7-2)15(16-3)11-8-9-13(17-4)14(10-11)18-5/h8-10,12,15-16H,6-7H2,1-5H3
InChIKeyCIWSGWBBBYFVIZ-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-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

2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 116716598
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499
2-[(3,4-dimethoxyphenyl)-(methylamino)methyl]butanenitrile
CID 116960515
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 116723314
4-(2-ethoxy-1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424873
2-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]butanenitrile
CID 116960518
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine
CID 114661034

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine (CID 116716616) is 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine is CCOC(CC)C(NC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine?
The InChIKey is CIWSGWBBBYFVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-12(19-7-2)15(16-3)11-8-9-13(17-4)14(10-11)18-5/h8-10,12,15-16H,6-7H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine?
1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine is sourced from PubChem (CID 116716616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).