4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide

C10H16BrNO2 — CID 71442477

IUPAC4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
SMILESBr.CN(C)CCc1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO2.BrH/c1-11(2)6-5-8-3-4-9(12)10(13)7-8;/h3-4,7,12-13H,5-6H2,1-2H3;1H
InChIKeyBJOVIRHSZCTSQR-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.78
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide

4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide (PubChem CID 71442477) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
PubChem CID71442477
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
SMILESBr.CN(C)CCc1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO2.BrH/c1-11(2)6-5-8-3-4-9(12)10(13)7-8;/h3-4,7,12-13H,5-6H2,1-2H3;1H
InChIKeyBJOVIRHSZCTSQR-UHFFFAOYSA-N
XLogP1.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride
CID 20541926
4-[2-(dimethylamino)ethyl]-2-(2-hydroxyethyl)phenol
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4-[2-[[bis(2-hydroxyethyl)amino]-methylamino]ethyl]benzene-1,2-diol
CID 173195865
4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol
CID 117316123
4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol
CID 117320433
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
CID 4663866
4-[2-[ethyl(propyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672365
4-[2-[(3-hydroxypropylamino)-methylamino]ethyl]benzene-1,2-diol
CID 173195863
4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol
CID 117322399
4-[2-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]ethyl]benzene-1,2-diol
CID 143733640
[acetyloxy-[2-(3,4-dihydroxyphenyl)ethyl]amino] acetate
CID 20530619

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide?
The IUPAC name of 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide (CID 71442477) is 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide is Br.CN(C)CCc1ccc(O)c(O)c1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide?
The InChIKey is BJOVIRHSZCTSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.BrH/c1-11(2)6-5-8-3-4-9(12)10(13)7-8;/h3-4,7,12-13H,5-6H2,1-2H3;1H.
What are the key properties of 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide?
4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide has a molecular weight of 262.15 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide is sourced from PubChem (CID 71442477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).