4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide

C11H18BrNO3 — CID 169439116

IUPAC4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide
SMILESBr.CCNC(C)C(O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H17NO3.BrH/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8;/h4-7,11-15H,3H2,1-2H3;1H
InChIKeyBUBZWYARJFWMQX-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.71
Rot. Bonds4

About 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide

4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide (PubChem CID 169439116) has the molecular formula C11H18BrNO3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide.

Molecular Properties

Compound Name4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide
PubChem CID169439116
Molecular FormulaC11H18BrNO3
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide
SMILESBr.CCNC(C)C(O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H17NO3.BrH/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8;/h4-7,11-15H,3H2,1-2H3;1H
InChIKeyBUBZWYARJFWMQX-UHFFFAOYSA-N
XLogP1.71
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol
CID 11106302
1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol
CID 105402863
4-[(1S,2R)-1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)propyl]benzene-1,2-diol
CID 92573647
4-[2-[2-(2,2-diphenylethylamino)ethylamino]-1-hydroxypropyl]benzene-1,2-diol
CID 10454019
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
2-(ethylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-ol
CID 112512326
[(1S,2S)-1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-yl]azanium
CID 6919631
1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol
CID 168764187
3-[2-(ethylamino)-1-hydroxypropyl]benzonitrile
CID 115481101
4-[1-hydroxy-2-(3-hydroxypropylamino)propyl]-2-methylphenol
CID 110183946
4-[(1R)-2-[[(2R)-1,1-dichloropropan-2-yl]amino]-1-hydroxyethyl]benzene-1,2-diol
CID 124561880
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide?
The IUPAC name of 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide (CID 169439116) is 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide.
What is the SMILES notation for 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide?
The canonical SMILES for 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide is Br.CCNC(C)C(O)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide?
The InChIKey is BUBZWYARJFWMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3.BrH/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8;/h4-7,11-15H,3H2,1-2H3;1H.
What are the key properties of 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide?
4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide has a molecular weight of 292.17 g/mol, XLogP of 1.71, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide is sourced from PubChem (CID 169439116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).