2-[3-(aminomethyl)phenoxy]ethanol

C9H13NO2 — CID 21465373

IUPAC2-[3-(aminomethyl)phenoxy]ethanol
SMILESNCc1cccc(OCCO)c1
InChIInChI=1S/C9H13NO2/c10-7-8-2-1-3-9(6-8)12-5-4-11/h1-3,6,11H,4-5,7,10H2
InChIKeyBNPXVOGZDNQRND-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.52
Rot. Bonds4

About 2-[3-(aminomethyl)phenoxy]ethanol

2-[3-(aminomethyl)phenoxy]ethanol (PubChem CID 21465373) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]ethanol
PubChem CID21465373
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-[3-(aminomethyl)phenoxy]ethanol
SMILESNCc1cccc(OCCO)c1
InChIInChI=1S/C9H13NO2/c10-7-8-2-1-3-9(6-8)12-5-4-11/h1-3,6,11H,4-5,7,10H2
InChIKeyBNPXVOGZDNQRND-UHFFFAOYSA-N
XLogP0.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]ethanol?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]ethanol (CID 21465373) is 2-[3-(aminomethyl)phenoxy]ethanol.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]ethanol?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]ethanol is NCc1cccc(OCCO)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]ethanol?
The InChIKey is BNPXVOGZDNQRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c10-7-8-2-1-3-9(6-8)12-5-4-11/h1-3,6,11H,4-5,7,10H2.
What are the key properties of 2-[3-(aminomethyl)phenoxy]ethanol?
2-[3-(aminomethyl)phenoxy]ethanol has a molecular weight of 167.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]ethanol is sourced from PubChem (CID 21465373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).