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

C8H9BrINO — CID 171018559

IUPAC(5-bromo-4-iodo-2-methoxyphenyl)methanamine
SMILESCOc1cc(I)c(Br)cc1CN
InChIInChI=1S/C8H9BrINO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,4,11H2,1H3
InChIKeyHCKKXICIZFGMRP-UHFFFAOYSA-N
MW341.97 g/mol
LogP2.52
Rot. Bonds2

About (5-bromo-4-iodo-2-methoxyphenyl)methanamine

(5-bromo-4-iodo-2-methoxyphenyl)methanamine (PubChem CID 171018559) has the molecular formula C8H9BrINO and a molecular weight of 341.97 g/mol. Its IUPAC name is (5-bromo-4-iodo-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-iodo-2-methoxyphenyl)methanamine
PubChem CID171018559
Molecular FormulaC8H9BrINO
Molecular Weight341.97 g/mol
Exact Mass340.89
IUPAC Name(5-bromo-4-iodo-2-methoxyphenyl)methanamine
SMILESCOc1cc(I)c(Br)cc1CN
InChIInChI=1S/C8H9BrINO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,4,11H2,1H3
InChIKeyHCKKXICIZFGMRP-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'}

Analyze (5-bromo-4-iodo-2-methoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-4-iodo-2-methoxyphenyl)methanamine
CID 86775733
(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine
CID 84709439
(5-bromo-4-iodo-2-methylphenyl)methanamine
CID 171018435
(4-iodo-2-methoxy-5-nitrophenyl)methanamine
CID 171015558
(4-bromo-5-iodo-2-methylphenyl)methanamine
CID 171018168
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504
(4-bromo-2-iodo-6-methoxyphenyl)methanamine
CID 171018102
(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433
(2-chloro-5-iodo-4-methoxyphenyl)methanamine
CID 171021193
(3-methoxynaphthalen-2-yl)methanamine
CID 82504350
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-iodo-2-methoxyphenyl)methanamine?
The IUPAC name of (5-bromo-4-iodo-2-methoxyphenyl)methanamine (CID 171018559) is (5-bromo-4-iodo-2-methoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-iodo-2-methoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-4-iodo-2-methoxyphenyl)methanamine is COc1cc(I)c(Br)cc1CN.
What is the InChIKey of (5-bromo-4-iodo-2-methoxyphenyl)methanamine?
The InChIKey is HCKKXICIZFGMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrINO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,4,11H2,1H3.
What are the key properties of (5-bromo-4-iodo-2-methoxyphenyl)methanamine?
(5-bromo-4-iodo-2-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 (5-bromo-4-iodo-2-methoxyphenyl)methanamine is sourced from PubChem (CID 171018559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).