1-(2-bromo-3-iodophenyl)-2-methoxyethanamine

C9H11BrINO — CID 130043791

IUPAC1-(2-bromo-3-iodophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1cccc(I)c1Br
InChIInChI=1S/C9H11BrINO/c1-13-5-8(12)6-3-2-4-7(11)9(6)10/h2-4,8H,5,12H2,1H3
InChIKeyCZECYTJORQPIBN-UHFFFAOYSA-N
MW356.00 g/mol
LogP2.70
Rot. Bonds3

About 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine

1-(2-bromo-3-iodophenyl)-2-methoxyethanamine (PubChem CID 130043791) has the molecular formula C9H11BrINO and a molecular weight of 356.00 g/mol. Its IUPAC name is 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-iodophenyl)-2-methoxyethanamine
PubChem CID130043791
Molecular FormulaC9H11BrINO
Molecular Weight356.00 g/mol
Exact Mass354.91
IUPAC Name1-(2-bromo-3-iodophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1cccc(I)c1Br
InChIInChI=1S/C9H11BrINO/c1-13-5-8(12)6-3-2-4-7(11)9(6)10/h2-4,8H,5,12H2,1H3
InChIKeyCZECYTJORQPIBN-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.00
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
(1S)-1-(2-bromo-3-chlorophenyl)-2-methoxyethanamine
CID 130642924
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
(1S)-1-(2-bromo-3-iodophenyl)but-3-en-1-amine
CID 130741028
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
(1R)-1-(2-ethylphenyl)-2-methoxyethanamine
CID 146013091
2-(1-amino-2-methoxyethyl)-6-chlorophenol
CID 130061439
1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine
CID 107985181
3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one
CID 55294092

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine?
The IUPAC name of 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine (CID 130043791) is 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine?
The canonical SMILES for 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine is COCC(N)c1cccc(I)c1Br.
What is the InChIKey of 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine?
The InChIKey is CZECYTJORQPIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrINO/c1-13-5-8(12)6-3-2-4-7(11)9(6)10/h2-4,8H,5,12H2,1H3.
What are the key properties of 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine?
1-(2-bromo-3-iodophenyl)-2-methoxyethanamine has a molecular weight of 356.00 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-iodophenyl)-2-methoxyethanamine is sourced from PubChem (CID 130043791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).