2-amino-1-(3-methoxyphenyl)ethanol

C9H13NO2 — CID 586679

IUPAC2-amino-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN)c1
InChIInChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,9,11H,6,10H2,1H3
InChIKeyYQMQTEJARSWZPZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds3

About 2-amino-1-(3-methoxyphenyl)ethanol

2-amino-1-(3-methoxyphenyl)ethanol (PubChem CID 586679) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-methoxyphenyl)ethanol
PubChem CID586679
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-amino-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN)c1
InChIInChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,9,11H,6,10H2,1H3
InChIKeyYQMQTEJARSWZPZ-UHFFFAOYSA-N
XLogP0.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-methoxyphenyl)ethanol (CID 586679) is 2-amino-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CN)c1.
What is the InChIKey of 2-amino-1-(3-methoxyphenyl)ethanol?
The InChIKey is YQMQTEJARSWZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,9,11H,6,10H2,1H3.
What are the key properties of 2-amino-1-(3-methoxyphenyl)ethanol?
2-amino-1-(3-methoxyphenyl)ethanol has a molecular weight of 167.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 586679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).