4-(2-aminoethyl)phenol

C8H11NO — CID 5610

IUPAC4-(2-aminoethyl)phenol
SMILESNCCc1ccc(O)cc1
InChIInChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
InChIKeyDZGWFCGJZKJUFP-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.89
Rot. Bonds2

About 4-(2-aminoethyl)phenol

4-(2-aminoethyl)phenol (PubChem CID 5610) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-(2-aminoethyl)phenol.

Molecular Properties

Compound Name4-(2-aminoethyl)phenol
PubChem CID5610
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-(2-aminoethyl)phenol
SMILESNCCc1ccc(O)cc1
InChIInChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
InChIKeyDZGWFCGJZKJUFP-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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Related Compounds

Dopamine
CID 681
L-Tyrosine
CID 6057
Octopamine
CID 4581
Synephrine
CID 7172
4-Ethylphenol
CID 31242
Dopamine Hydrochloride
CID 65340
m-Tyramine
CID 11492
Hydroxyamfetamine
CID 3651
N-Methyltyramine
CID 9727
4-Propylphenol
CID 12580
Hydroxyamphetamine Hydrobromide
CID 9377
(R)-Octopamine
CID 440266

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)phenol?
The IUPAC name of 4-(2-aminoethyl)phenol (CID 5610) is 4-(2-aminoethyl)phenol.
What is the SMILES notation for 4-(2-aminoethyl)phenol?
The canonical SMILES for 4-(2-aminoethyl)phenol is NCCc1ccc(O)cc1.
What is the InChIKey of 4-(2-aminoethyl)phenol?
The InChIKey is DZGWFCGJZKJUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2.
What are the key properties of 4-(2-aminoethyl)phenol?
4-(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 4-(2-aminoethyl)phenol is sourced from PubChem (CID 5610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).