3-Methoxyphenethylamine

C9H13NO — CID 74866

IUPAC2-(3-methoxyphenyl)ethanamine
SMILESCOC1=CC=CC(=C1)CCN
InChIInChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3
InChIKeyWJBMRZAHTUFBGE-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.60
Rot. Bonds3

About 3-Methoxyphenethylamine

3-Methoxyphenethylamine (PubChem CID 74866) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name3-Methoxyphenethylamine
PubChem CID74866
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(3-methoxyphenyl)ethanamine
SMILESCOC1=CC=CC(=C1)CCN
InChIInChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3
InChIKeyWJBMRZAHTUFBGE-UHFFFAOYSA-N
XLogP1.60
TPSA35.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity106

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-Methoxyphenethylamine?
The IUPAC name of 3-Methoxyphenethylamine (CID 74866) is 2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 3-Methoxyphenethylamine?
The canonical SMILES for 3-Methoxyphenethylamine is COC1=CC=CC(=C1)CCN.
What is the InChIKey of 3-Methoxyphenethylamine?
The InChIKey is WJBMRZAHTUFBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3.
What are the key properties of 3-Methoxyphenethylamine?
3-Methoxyphenethylamine has a molecular weight of 151.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methoxyphenethylamine is sourced from PubChem (CID 74866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).