(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine

C14H13BrINO — CID 54919573

IUPAC(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(I)c2)c(Br)c1
InChIInChI=1S/C14H13BrINO/c1-18-11-5-6-12(13(15)8-11)14(17)9-3-2-4-10(16)7-9/h2-8,14H,17H2,1H3
InChIKeyBUTVHQHGNZUDIP-UHFFFAOYSA-N
MW418.07 g/mol
LogP4.11
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine

(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine (PubChem CID 54919573) has the molecular formula C14H13BrINO and a molecular weight of 418.07 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
PubChem CID54919573
Molecular FormulaC14H13BrINO
Molecular Weight418.07 g/mol
Exact Mass416.92
IUPAC Name(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(I)c2)c(Br)c1
InChIInChI=1S/C14H13BrINO/c1-18-11-5-6-12(13(15)8-11)14(17)9-3-2-4-10(16)7-9/h2-8,14H,17H2,1H3
InChIKeyBUTVHQHGNZUDIP-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.07
LogP ≤ 54.11
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

(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 105051973
(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105309446
(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 43124940
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine (CID 54919573) is (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine is COc1ccc(C(N)c2cccc(I)c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine?
The InChIKey is BUTVHQHGNZUDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrINO/c1-18-11-5-6-12(13(15)8-11)14(17)9-3-2-4-10(16)7-9/h2-8,14H,17H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine?
(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine has a molecular weight of 418.07 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine is sourced from PubChem (CID 54919573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).