[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium

C11H17BrNO2+ — CID 25271630

IUPAC[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium
SMILESCOc1cc(C[C@@H](C)[NH3+])c(OC)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/p+1/t7-/m1/s1
InChIKeyFXMWUTGUCAKGQL-SSDOTTSWSA-O
MW275.17 g/mol
LogP1.64
Rot. Bonds4

About [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium

[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium (PubChem CID 25271630) has the molecular formula C11H17BrNO2+ and a molecular weight of 275.17 g/mol. Its IUPAC name is [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium
PubChem CID25271630
Molecular FormulaC11H17BrNO2+
Molecular Weight275.17 g/mol
Exact Mass274.04
IUPAC Name[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium
SMILESCOc1cc(C[C@@H](C)[NH3+])c(OC)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/p+1/t7-/m1/s1
InChIKeyFXMWUTGUCAKGQL-SSDOTTSWSA-O
XLogP1.64
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
CID 14201979
1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
CID 64787018
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
3-(5-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 117487959
3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]butan-2-ol
CID 103706018
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
1-benzyl-4-bromo-2,5-dimethoxybenzene
CID 90014270
1-amino-2-(4-bromo-2,5-dimethoxyphenyl)ethane-1,1-diol
CID 167477101
2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]ethanamine
CID 43249544
(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
CID 16637954

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium?
The IUPAC name of [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium (CID 25271630) is [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium?
The canonical SMILES for [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium is COc1cc(C[C@@H](C)[NH3+])c(OC)cc1Br.
What is the InChIKey of [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium?
The InChIKey is FXMWUTGUCAKGQL-SSDOTTSWSA-O. The full InChI is InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/p+1/t7-/m1/s1.
What are the key properties of [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium?
[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium has a molecular weight of 275.17 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium is sourced from PubChem (CID 25271630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).