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

C11H16BrNO2 — CID 117437629

IUPAC1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)c(OC)c(Br)c1C(C)N
InChIInChI=1S/C11H16BrNO2/c1-6-5-8(14-3)9(7(2)13)10(12)11(6)15-4/h5,7H,13H2,1-4H3
InChIKeyLNKOYMINFGMEIL-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.79
Rot. Bonds3

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

1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine (PubChem CID 117437629) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine
PubChem CID117437629
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)c(OC)c(Br)c1C(C)N
InChIInChI=1S/C11H16BrNO2/c1-6-5-8(14-3)9(7(2)13)10(12)11(6)15-4/h5,7H,13H2,1-4H3
InChIKeyLNKOYMINFGMEIL-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-3-bromo-4,5-dimethoxyphenol
CID 84714360
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
2-(2-bromo-3,4-dimethoxy-6-methylphenyl)propan-1-ol
CID 117467053
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
CID 130139712
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117499521
(E)-3-(2-bromo-3,6-dimethoxy-4-methylphenyl)prop-2-en-1-amine
CID 117460751
4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221934
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine (CID 117437629) is 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine is COc1cc(C)c(OC)c(Br)c1C(C)N.
What is the InChIKey of 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine?
The InChIKey is LNKOYMINFGMEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-6-5-8(14-3)9(7(2)13)10(12)11(6)15-4/h5,7H,13H2,1-4H3.
What are the key properties of 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine?
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 117437629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).