2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine

C15H23NO3 — CID 116723089

IUPAC2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-4-19-15(10-5-6-10)14(16)11-7-8-12(17-2)13(9-11)18-3/h7-10,14-15H,4-6,16H2,1-3H3
InChIKeyVHJDDVXJLMCJGQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds7

About 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine

2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine (PubChem CID 116723089) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
PubChem CID116723089
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-4-19-15(10-5-6-10)14(16)11-7-8-12(17-2)13(9-11)18-3/h7-10,14-15H,4-6,16H2,1-3H3
InChIKeyVHJDDVXJLMCJGQ-UHFFFAOYSA-N
XLogP2.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
CID 83155157
1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725272
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
1,2,2-tris(3,4-dimethoxyphenyl)ethanamine
CID 11396841
N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 125466683
2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107129246
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 116723314
2-cyclohexyl-2-ethoxy-1-(4-fluoro-3-methylphenyl)ethanamine
CID 116772073
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine?
The IUPAC name of 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine (CID 116723089) is 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine is CCOC(C1CC1)C(N)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine?
The InChIKey is VHJDDVXJLMCJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-15(10-5-6-10)14(16)11-7-8-12(17-2)13(9-11)18-3/h7-10,14-15H,4-6,16H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine?
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine is sourced from PubChem (CID 116723089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).