2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol

C11H16BrNO3 — CID 117468532

IUPAC2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(CCCN)c(Br)c1OC
InChIInChI=1S/C11H16BrNO3/c1-15-9-6-8(14)7(4-3-5-13)10(12)11(9)16-2/h6,14H,3-5,13H2,1-2H3
InChIKeyFBQMYAYHAJEJAP-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.06
Rot. Bonds5

About 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol

2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol (PubChem CID 117468532) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
PubChem CID117468532
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(CCCN)c(Br)c1OC
InChIInChI=1S/C11H16BrNO3/c1-15-9-6-8(14)7(4-3-5-13)10(12)11(9)16-2/h6,14H,3-5,13H2,1-2H3
InChIKeyFBQMYAYHAJEJAP-UHFFFAOYSA-N
XLogP2.06
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
4-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491322
4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117414326
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)butan-1-amine
CID 117486751
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
CID 117359859
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
2-(3-aminopropyl)-3-bromo-4-methylphenol
CID 84802468
4-(3-bromo-2-methoxy-4,6-dimethylphenyl)butan-1-amine
CID 117461386

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol?
The IUPAC name of 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol (CID 117468532) is 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol.
What is the SMILES notation for 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol?
The canonical SMILES for 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol is COc1cc(O)c(CCCN)c(Br)c1OC.
What is the InChIKey of 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol?
The InChIKey is FBQMYAYHAJEJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-15-9-6-8(14)7(4-3-5-13)10(12)11(9)16-2/h6,14H,3-5,13H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol?
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol has a molecular weight of 290.16 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol is sourced from PubChem (CID 117468532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).