4-(2-aminoethyl)benzene-1,3-diol;hydrochloride

C8H12ClNO2 — CID 50988720

IUPAC4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
SMILESCl.NCCc1ccc(O)cc1O
InChIInChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)5-8(6)11;/h1-2,5,10-11H,3-4,9H2;1H
InChIKeyGBHIWVGWSZHYFR-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.02
Rot. Bonds2

About 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride

4-(2-aminoethyl)benzene-1,3-diol;hydrochloride (PubChem CID 50988720) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
PubChem CID50988720
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
SMILESCl.NCCc1ccc(O)cc1O
InChIInChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)5-8(6)11;/h1-2,5,10-11H,3-4,9H2;1H
InChIKeyGBHIWVGWSZHYFR-UHFFFAOYSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-5-methylphenol
CID 55254754
4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol
CID 174965062
4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol
CID 19894434
4-(2-aminoethyl)-3-hydroxybenzoic acid;hydrobromide
CID 119031649
4-(sulfanylmethyl)benzene-1,3-diol
CID 57214402
5-(2-aminoethyl)benzene-1,2,4-triol chloride
CID 23615875
4-(fluoromethyl)benzene-1,3-diol
CID 91883667
4-ethylbenzene-1,3-diol
CID 17927
5-(4-aminoanilino)-2-(2-aminoethyl)phenol
CID 170888335
4-tricosylbenzene-1,3-diol
CID 101133990
4-(3-hydroxybutyl)benzene-1,3-diol
CID 71768563
4-(2-phenylethyl)benzene-1,3-diol;hydrate
CID 174818892

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride (CID 50988720) is 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride is Cl.NCCc1ccc(O)cc1O.
What is the InChIKey of 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride?
The InChIKey is GBHIWVGWSZHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)5-8(6)11;/h1-2,5,10-11H,3-4,9H2;1H.
What are the key properties of 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride?
4-(2-aminoethyl)benzene-1,3-diol;hydrochloride has a molecular weight of 189.64 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 50988720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).