2-bromo-5-iodo-N-(2-methoxyethyl)aniline

C9H11BrINO — CID 126975654

IUPAC2-bromo-5-iodo-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(I)ccc1Br
InChIInChI=1S/C9H11BrINO/c1-13-5-4-12-9-6-7(11)2-3-8(9)10/h2-3,6,12H,4-5H2,1H3
InChIKeyKZGPEUXXVDNUJN-UHFFFAOYSA-N
MW356.00 g/mol
LogP3.11
Rot. Bonds4

About 2-bromo-5-iodo-N-(2-methoxyethyl)aniline

2-bromo-5-iodo-N-(2-methoxyethyl)aniline (PubChem CID 126975654) has the molecular formula C9H11BrINO and a molecular weight of 356.00 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-iodo-N-(2-methoxyethyl)aniline
PubChem CID126975654
Molecular FormulaC9H11BrINO
Molecular Weight356.00 g/mol
Exact Mass354.91
IUPAC Name2-bromo-5-iodo-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(I)ccc1Br
InChIInChI=1S/C9H11BrINO/c1-13-5-4-12-9-6-7(11)2-3-8(9)10/h2-3,6,12H,4-5H2,1H3
InChIKeyKZGPEUXXVDNUJN-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.00
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
2-bromo-N-ethyl-5-iodoaniline
CID 130498441
2-bromo-5-iodo-N-(2-phenylethyl)aniline
CID 114258923
2-bromo-N-(3-ethylsulfonylpropyl)-5-iodoaniline
CID 113356624
5-bromo-N-(2-methoxyethyl)-2-methylaniline
CID 43806040
2-bromo-5-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112589304
4-bromo-3-chloro-N-(2-methoxyethyl)aniline
CID 107619929
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
CID 79769085
(2-bromo-5-iodophenyl)hydrazine
CID 130164634
2-bromo-5-iodo-N-propan-2-ylaniline
CID 126975603
2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide
CID 113364210

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-bromo-5-iodo-N-(2-methoxyethyl)aniline (CID 126975654) is 2-bromo-5-iodo-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-bromo-5-iodo-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-bromo-5-iodo-N-(2-methoxyethyl)aniline is COCCNc1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodo-N-(2-methoxyethyl)aniline?
The InChIKey is KZGPEUXXVDNUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrINO/c1-13-5-4-12-9-6-7(11)2-3-8(9)10/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-bromo-5-iodo-N-(2-methoxyethyl)aniline?
2-bromo-5-iodo-N-(2-methoxyethyl)aniline has a molecular weight of 356.00 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 126975654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).