1-(3-bromo-2,4-dimethylphenyl)ethanamine

C10H14BrN — CID 84792064

IUPAC1-(3-bromo-2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)N)c(C)c1Br
InChIInChI=1S/C10H14BrN/c1-6-4-5-9(8(3)12)7(2)10(6)11/h4-5,8H,12H2,1-3H3
InChIKeyLJRMKRJHMDQWAC-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.09
Rot. Bonds1

About 1-(3-bromo-2,4-dimethylphenyl)ethanamine

1-(3-bromo-2,4-dimethylphenyl)ethanamine (PubChem CID 84792064) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethylphenyl)ethanamine
PubChem CID84792064
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name1-(3-bromo-2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)N)c(C)c1Br
InChIInChI=1S/C10H14BrN/c1-6-4-5-9(8(3)12)7(2)10(6)11/h4-5,8H,12H2,1-3H3
InChIKeyLJRMKRJHMDQWAC-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid
CID 84805752
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol
CID 84802512
3-(3-bromo-2,4-dimethylphenyl)butanoic acid
CID 84809298
3-(1-aminoethyl)-6-methylbenzene-1,2-diol
CID 84652680
3-amino-2-(3-bromo-2,4-dimethylphenyl)propanoic acid
CID 84809577
4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
CID 84806446
4-(1-aminoethyl)-2,3-dimethylphenol
CID 82266494
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
1-(2,5-dimethylphenyl)ethanamine
CID 4991344

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2,4-dimethylphenyl)ethanamine (CID 84792064) is 1-(3-bromo-2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethylphenyl)ethanamine is Cc1ccc(C(C)N)c(C)c1Br.
What is the InChIKey of 1-(3-bromo-2,4-dimethylphenyl)ethanamine?
The InChIKey is LJRMKRJHMDQWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-6-4-5-9(8(3)12)7(2)10(6)11/h4-5,8H,12H2,1-3H3.
What are the key properties of 1-(3-bromo-2,4-dimethylphenyl)ethanamine?
1-(3-bromo-2,4-dimethylphenyl)ethanamine has a molecular weight of 228.13 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 84792064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).