2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine

C12H18BrNO2 — CID 117465253

IUPAC2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
SMILESCOc1cc(Br)c(C(C)CN)c(C)c1OC
InChIInChI=1S/C12H18BrNO2/c1-7(6-14)11-8(2)12(16-4)10(15-3)5-9(11)13/h5,7H,6,14H2,1-4H3
InChIKeyOBEQWGSRWOBWMU-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.84
Rot. Bonds4

About 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine

2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine (PubChem CID 117465253) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
PubChem CID117465253
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
SMILESCOc1cc(Br)c(C(C)CN)c(C)c1OC
InChIInChI=1S/C12H18BrNO2/c1-7(6-14)11-8(2)12(16-4)10(15-3)5-9(11)13/h5,7H,6,14H2,1-4H3
InChIKeyOBEQWGSRWOBWMU-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)butan-1-amine
CID 117486751
4-(1-bromoethyl)-1,2-dimethoxy-3,5-dimethylbenzene
CID 174571134
1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene
CID 59135186
2-(6-methoxy-2,3-dimethylphenyl)propan-1-amine
CID 117284105

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine (CID 117465253) is 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine is COc1cc(Br)c(C(C)CN)c(C)c1OC.
What is the InChIKey of 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine?
The InChIKey is OBEQWGSRWOBWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-7(6-14)11-8(2)12(16-4)10(15-3)5-9(11)13/h5,7H,6,14H2,1-4H3.
What are the key properties of 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine?
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine has a molecular weight of 288.19 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 117465253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).