5-(2-aminoethyl)-2-methoxyphenol

C9H13NO2 — CID 1748

IUPAC5-(2-aminoethyl)-2-methoxyphenol
SMILESCOc1ccc(CCN)cc1O
InChIInChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKeyWJXQFVMTIGJBFX-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.90
Rot. Bonds3

About 5-(2-aminoethyl)-2-methoxyphenol

5-(2-aminoethyl)-2-methoxyphenol (PubChem CID 1748) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-methoxyphenol
PubChem CID1748
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-(2-aminoethyl)-2-methoxyphenol
SMILESCOc1ccc(CCN)cc1O
InChIInChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKeyWJXQFVMTIGJBFX-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-methoxyphenol?
The IUPAC name of 5-(2-aminoethyl)-2-methoxyphenol (CID 1748) is 5-(2-aminoethyl)-2-methoxyphenol.
What is the SMILES notation for 5-(2-aminoethyl)-2-methoxyphenol?
The canonical SMILES for 5-(2-aminoethyl)-2-methoxyphenol is COc1ccc(CCN)cc1O.
What is the InChIKey of 5-(2-aminoethyl)-2-methoxyphenol?
The InChIKey is WJXQFVMTIGJBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3.
What are the key properties of 5-(2-aminoethyl)-2-methoxyphenol?
5-(2-aminoethyl)-2-methoxyphenol has a molecular weight of 167.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-methoxyphenol is sourced from PubChem (CID 1748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).