1-(2,3-dibromophenyl)-2-methoxyethanamine

C9H11Br2NO — CID 130043522

IUPAC1-(2,3-dibromophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1cccc(Br)c1Br
InChIInChI=1S/C9H11Br2NO/c1-13-5-8(12)6-3-2-4-7(10)9(6)11/h2-4,8H,5,12H2,1H3
InChIKeyGSQKDCAIKUTYFL-UHFFFAOYSA-N
MW309.00 g/mol
LogP2.86
Rot. Bonds3

About 1-(2,3-dibromophenyl)-2-methoxyethanamine

1-(2,3-dibromophenyl)-2-methoxyethanamine (PubChem CID 130043522) has the molecular formula C9H11Br2NO and a molecular weight of 309.00 g/mol. Its IUPAC name is 1-(2,3-dibromophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(2,3-dibromophenyl)-2-methoxyethanamine
PubChem CID130043522
Molecular FormulaC9H11Br2NO
Molecular Weight309.00 g/mol
Exact Mass306.92
IUPAC Name1-(2,3-dibromophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1cccc(Br)c1Br
InChIInChI=1S/C9H11Br2NO/c1-13-5-8(12)6-3-2-4-7(10)9(6)11/h2-4,8H,5,12H2,1H3
InChIKeyGSQKDCAIKUTYFL-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.00
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-iodophenyl)-2-methoxyethanamine
CID 130043791
(1S)-1-(2-bromo-3-chlorophenyl)-2-methoxyethanamine
CID 130642924
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
1-(2,3-dibromophenyl)-2-methylpropan-1-amine
CID 130000512
(1R)-1-(2-ethylphenyl)-2-methoxyethanamine
CID 146013091
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine
CID 107985181

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibromophenyl)-2-methoxyethanamine?
The IUPAC name of 1-(2,3-dibromophenyl)-2-methoxyethanamine (CID 130043522) is 1-(2,3-dibromophenyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(2,3-dibromophenyl)-2-methoxyethanamine?
The canonical SMILES for 1-(2,3-dibromophenyl)-2-methoxyethanamine is COCC(N)c1cccc(Br)c1Br.
What is the InChIKey of 1-(2,3-dibromophenyl)-2-methoxyethanamine?
The InChIKey is GSQKDCAIKUTYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO/c1-13-5-8(12)6-3-2-4-7(10)9(6)11/h2-4,8H,5,12H2,1H3.
What are the key properties of 1-(2,3-dibromophenyl)-2-methoxyethanamine?
1-(2,3-dibromophenyl)-2-methoxyethanamine has a molecular weight of 309.00 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibromophenyl)-2-methoxyethanamine is sourced from PubChem (CID 130043522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).