(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine

C11H16BrNO2 — CID 69396117

IUPAC(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(Br)cc(C[C@@H](C)N)c1OC
InChIInChI=1S/C11H16BrNO2/c1-7(13)4-8-5-9(12)6-10(14-2)11(8)15-3/h5-7H,4,13H2,1-3H3/t7-/m1/s1
InChIKeyZJJIBYZWBGZMEZ-SSDOTTSWSA-N
MW274.16 g/mol
LogP2.36
Rot. Bonds4

About (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine

(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine (PubChem CID 69396117) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
PubChem CID69396117
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(Br)cc(C[C@@H](C)N)c1OC
InChIInChI=1S/C11H16BrNO2/c1-7(13)4-8-5-9(12)6-10(14-2)11(8)15-3/h5-7H,4,13H2,1-3H3/t7-/m1/s1
InChIKeyZJJIBYZWBGZMEZ-SSDOTTSWSA-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-(2,3,5-trimethoxy(613C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492453
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine
CID 117465285
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
2-(5-bromo-2,3-dimethoxyphenyl)acetonitrile
CID 10400157

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine (CID 69396117) is (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine is COc1cc(Br)cc(C[C@@H](C)N)c1OC.
What is the InChIKey of (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine?
The InChIKey is ZJJIBYZWBGZMEZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-9(12)6-10(14-2)11(8)15-3/h5-7H,4,13H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine?
(2R)-1-(5-bromo-2,3-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 (2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 69396117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).