2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine

C13H21NO2 — CID 18789952

IUPAC2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-5-14(2)9-8-11-6-7-12(15-3)13(10-11)16-4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyJSPWCLMCHRAVSA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.20
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine

2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine (PubChem CID 18789952) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
PubChem CID18789952
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-5-14(2)9-8-11-6-7-12(15-3)13(10-11)16-4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyJSPWCLMCHRAVSA-UHFFFAOYSA-N
XLogP2.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 172866554
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanenitrile
CID 10083361
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
CID 67814076
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine
CID 19926629
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 1376281
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 2842584

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine (CID 18789952) is 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine is CCN(C)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine?
The InChIKey is JSPWCLMCHRAVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-14(2)9-8-11-6-7-12(15-3)13(10-11)16-4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine?
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 18789952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).