(4-bromo-2-iodo-6-methoxyphenyl)methanamine

C8H9BrINO — CID 171018102

IUPAC(4-bromo-2-iodo-6-methoxyphenyl)methanamine
SMILESCOc1cc(Br)cc(I)c1CN
InChIInChI=1S/C8H9BrINO/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-3H,4,11H2,1H3
InChIKeyIODKZQOKWVEIFD-UHFFFAOYSA-N
MW341.97 g/mol
LogP2.52
Rot. Bonds2

About (4-bromo-2-iodo-6-methoxyphenyl)methanamine

(4-bromo-2-iodo-6-methoxyphenyl)methanamine (PubChem CID 171018102) has the molecular formula C8H9BrINO and a molecular weight of 341.97 g/mol. Its IUPAC name is (4-bromo-2-iodo-6-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-iodo-6-methoxyphenyl)methanamine
PubChem CID171018102
Molecular FormulaC8H9BrINO
Molecular Weight341.97 g/mol
Exact Mass340.89
IUPAC Name(4-bromo-2-iodo-6-methoxyphenyl)methanamine
SMILESCOc1cc(Br)cc(I)c1CN
InChIInChI=1S/C8H9BrINO/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-3H,4,11H2,1H3
InChIKeyIODKZQOKWVEIFD-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.97
LogP ≤ 52.52
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

(4-bromo-2,6-dimethoxyphenyl)methanamine
CID 130139852
5-bromo-2-fluoro-1-iodo-3-methoxybenzene
CID 162421202
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 119098888
4-(aminomethyl)-3-bromo-5-methoxybenzonitrile
CID 171014130
(5-bromo-7-methoxy-1H-indol-2-yl)methanamine
CID 83901061
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
[4-(aminomethyl)-3,5-dimethoxyphenoxy]boronic acid
CID 174501310
(5-chloro-4-iodo-2-methoxyphenyl)methanamine
CID 86775733
(5-bromo-3-iodo-2-methylphenyl)methanamine
CID 171018365
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-iodo-6-methoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-iodo-6-methoxyphenyl)methanamine (CID 171018102) is (4-bromo-2-iodo-6-methoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-iodo-6-methoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-iodo-6-methoxyphenyl)methanamine is COc1cc(Br)cc(I)c1CN.
What is the InChIKey of (4-bromo-2-iodo-6-methoxyphenyl)methanamine?
The InChIKey is IODKZQOKWVEIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrINO/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-3H,4,11H2,1H3.
What are the key properties of (4-bromo-2-iodo-6-methoxyphenyl)methanamine?
(4-bromo-2-iodo-6-methoxyphenyl)methanamine has a molecular weight of 341.97 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-iodo-6-methoxyphenyl)methanamine is sourced from PubChem (CID 171018102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).