3-(2-amino-1-hydroxyethyl)phenol

C8H11NO2 — CID 4538

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IUPAC3-(2-amino-1-hydroxyethyl)phenol
SMILESNCC(O)c1cccc(O)c1
InChIInChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2
InChIKeyLRCXRAABFLIVAI-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.38
Rot. Bonds2

About 3-(2-amino-1-hydroxyethyl)phenol

3-(2-amino-1-hydroxyethyl)phenol (PubChem CID 4538) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name3-(2-amino-1-hydroxyethyl)phenol
PubChem CID4538
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-(2-amino-1-hydroxyethyl)phenol
SMILESNCC(O)c1cccc(O)c1
InChIInChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2
InChIKeyLRCXRAABFLIVAI-UHFFFAOYSA-N
XLogP0.38
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Dopamine
CID 681
Norepinephrine
CID 439260
Tyramine
CID 5610
Epinephrine
CID 5816
Phenylephrine
CID 6041
Octopamine
CID 4581
Synephrine
CID 7172
Metaraminol
CID 5906
Dopamine Hydrochloride
CID 65340
(+-)-Adrenaline
CID 838
Etilefrine
CID 3306
m-Tyramine
CID 11492

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxyethyl)phenol?
The IUPAC name of 3-(2-amino-1-hydroxyethyl)phenol (CID 4538) is 3-(2-amino-1-hydroxyethyl)phenol.
What is the SMILES notation for 3-(2-amino-1-hydroxyethyl)phenol?
The canonical SMILES for 3-(2-amino-1-hydroxyethyl)phenol is NCC(O)c1cccc(O)c1.
What is the InChIKey of 3-(2-amino-1-hydroxyethyl)phenol?
The InChIKey is LRCXRAABFLIVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2.
What are the key properties of 3-(2-amino-1-hydroxyethyl)phenol?
3-(2-amino-1-hydroxyethyl)phenol has a molecular weight of 153.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxyethyl)phenol is sourced from PubChem (CID 4538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).