3-(2-aminoethyl)phenol

C8H11NO — CID 11492

IUPAC3-(2-aminoethyl)phenol
SMILESNCCc1cccc(O)c1
InChIInChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
InChIKeyGHFGJTVYMNRGBY-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.89
Rot. Bonds2

About 3-(2-aminoethyl)phenol

3-(2-aminoethyl)phenol (PubChem CID 11492) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-(2-aminoethyl)phenol.

Molecular Properties

Compound Name3-(2-aminoethyl)phenol
PubChem CID11492
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-(2-aminoethyl)phenol
SMILESNCCc1cccc(O)c1
InChIInChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
InChIKeyGHFGJTVYMNRGBY-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)phenol?
The IUPAC name of 3-(2-aminoethyl)phenol (CID 11492) is 3-(2-aminoethyl)phenol.
What is the SMILES notation for 3-(2-aminoethyl)phenol?
The canonical SMILES for 3-(2-aminoethyl)phenol is NCCc1cccc(O)c1.
What is the InChIKey of 3-(2-aminoethyl)phenol?
The InChIKey is GHFGJTVYMNRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2.
What are the key properties of 3-(2-aminoethyl)phenol?
3-(2-aminoethyl)phenol has a molecular weight of 137.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)phenol is sourced from PubChem (CID 11492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).