1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine

C11H16BrNO2 — CID 90237354

IUPAC1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)N)c(Br)c1OC
InChIInChI=1S/C11H16BrNO2/c1-7(13)6-8-4-5-9(14-2)11(15-3)10(8)12/h4-5,7H,6,13H2,1-3H3
InChIKeyMYNGUVCYHDQOCQ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.36
Rot. Bonds4

About 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine

1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine (PubChem CID 90237354) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
PubChem CID90237354
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)N)c(Br)c1OC
InChIInChI=1S/C11H16BrNO2/c1-7(13)6-8-4-5-9(14-2)11(15-3)10(8)12/h4-5,7H,6,13H2,1-3H3
InChIKeyMYNGUVCYHDQOCQ-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397657
1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397655
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
1-benzyl-2-bromo-3,4-dimethoxybenzene
CID 10733510
1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine
CID 117293594
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067
1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461403
methyl 2-(benzylideneamino)-3-(2-bromo-3,4-dimethoxyphenyl)propanoate
CID 10386599

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine (CID 90237354) is 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine is COc1ccc(CC(C)N)c(Br)c1OC.
What is the InChIKey of 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine?
The InChIKey is MYNGUVCYHDQOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7(13)6-8-4-5-9(14-2)11(15-3)10(8)12/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine?
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine has a molecular weight of 274.16 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 90237354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).