2-(3,4-dimethoxyphenyl)ethanamine

C10H15NO2 — CID 8421

IUPAC2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(CCN)cc1OC
InChIInChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
InChIKeyANOUKFYBOAKOIR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.21
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)ethanamine

2-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 8421) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethanamine
PubChem CID8421
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(CCN)cc1OC
InChIInChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
InChIKeyANOUKFYBOAKOIR-UHFFFAOYSA-N
XLogP1.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethanamine (CID 8421) is 2-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethanamine is COc1ccc(CCN)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is ANOUKFYBOAKOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethanamine?
2-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 181.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 8421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).