2-methoxy-1-phenylethanamine

C9H13NO — CID 11105539

IUPAC2-methoxy-1-phenylethanamine
SMILESCOCC(N)c1ccccc1
InChIInChI=1S/C9H13NO/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3
InChIKeyCMTDMIYJXVBUDX-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds3

About 2-methoxy-1-phenylethanamine

2-methoxy-1-phenylethanamine (PubChem CID 11105539) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methoxy-1-phenylethanamine.

Molecular Properties

Compound Name2-methoxy-1-phenylethanamine
PubChem CID11105539
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methoxy-1-phenylethanamine
SMILESCOCC(N)c1ccccc1
InChIInChI=1S/C9H13NO/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3
InChIKeyCMTDMIYJXVBUDX-UHFFFAOYSA-N
XLogP1.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenylethanamine?
The IUPAC name of 2-methoxy-1-phenylethanamine (CID 11105539) is 2-methoxy-1-phenylethanamine.
What is the SMILES notation for 2-methoxy-1-phenylethanamine?
The canonical SMILES for 2-methoxy-1-phenylethanamine is COCC(N)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenylethanamine?
The InChIKey is CMTDMIYJXVBUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3.
What are the key properties of 2-methoxy-1-phenylethanamine?
2-methoxy-1-phenylethanamine has a molecular weight of 151.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenylethanamine is sourced from PubChem (CID 11105539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).