2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine

C11H16BrNO2 — CID 84810436

IUPAC2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(OC)c(C(C)(C)N)c1Br
InChIInChI=1S/C11H16BrNO2/c1-11(2,13)9-7(14-3)5-6-8(15-4)10(9)12/h5-6H,13H2,1-4H3
InChIKeyAFIMBHQWHUYTTO-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.66
Rot. Bonds3

About 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine

2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine (PubChem CID 84810436) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine
PubChem CID84810436
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(OC)c(C(C)(C)N)c1Br
InChIInChI=1S/C11H16BrNO2/c1-11(2,13)9-7(14-3)5-6-8(15-4)10(9)12/h5-6H,13H2,1-4H3
InChIKeyAFIMBHQWHUYTTO-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine
CID 84805905
2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine
CID 84782823
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117441916
2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
CID 84808818
2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
CID 117465351
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
CID 103523005
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine (CID 84810436) is 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine is COc1ccc(OC)c(C(C)(C)N)c1Br.
What is the InChIKey of 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine?
The InChIKey is AFIMBHQWHUYTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-11(2,13)9-7(14-3)5-6-8(15-4)10(9)12/h5-6H,13H2,1-4H3.
What are the key properties of 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine?
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine has a molecular weight of 274.16 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 84810436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).