(5-bromo-3-iodo-2-methylphenyl)methanamine

C8H9BrIN — CID 171018365

IUPAC(5-bromo-3-iodo-2-methylphenyl)methanamine
SMILESCc1c(I)cc(Br)cc1CN
InChIInChI=1S/C8H9BrIN/c1-5-6(4-11)2-7(9)3-8(5)10/h2-3H,4,11H2,1H3
InChIKeyLXUZVRRMFJRBAQ-UHFFFAOYSA-N
MW325.98 g/mol
LogP2.82
Rot. Bonds1

About (5-bromo-3-iodo-2-methylphenyl)methanamine

(5-bromo-3-iodo-2-methylphenyl)methanamine (PubChem CID 171018365) has the molecular formula C8H9BrIN and a molecular weight of 325.98 g/mol. Its IUPAC name is (5-bromo-3-iodo-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-iodo-2-methylphenyl)methanamine
PubChem CID171018365
Molecular FormulaC8H9BrIN
Molecular Weight325.98 g/mol
Exact Mass324.90
IUPAC Name(5-bromo-3-iodo-2-methylphenyl)methanamine
SMILESCc1c(I)cc(Br)cc1CN
InChIInChI=1S/C8H9BrIN/c1-5-6(4-11)2-7(9)3-8(5)10/h2-3H,4,11H2,1H3
InChIKeyLXUZVRRMFJRBAQ-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-5-iodo-2-methylphenyl)methanamine
CID 171018168
(5-bromo-4-iodo-2-methylphenyl)methanamine
CID 171018435
(4-bromo-2-iodo-5-methylphenyl)methanamine
CID 171018926
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
CID 53474963
5-bromo-1,2,3-triiodobenzene
CID 102583151
2,6-bis(aminomethyl)-4-bromophenol;dihydrochloride
CID 74889844
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
(4-bromo-2-iodo-6-methoxyphenyl)methanamine
CID 171018102
(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610
(4-bromo-2,6-diethylphenyl)methanamine
CID 58266734
5-(aminomethyl)-2-bromo-3,6-dimethylphenol
CID 84793496
(3,5-difluoro-2,4-dimethylphenyl)methanamine
CID 84765917

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-iodo-2-methylphenyl)methanamine?
The IUPAC name of (5-bromo-3-iodo-2-methylphenyl)methanamine (CID 171018365) is (5-bromo-3-iodo-2-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-3-iodo-2-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-3-iodo-2-methylphenyl)methanamine is Cc1c(I)cc(Br)cc1CN.
What is the InChIKey of (5-bromo-3-iodo-2-methylphenyl)methanamine?
The InChIKey is LXUZVRRMFJRBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrIN/c1-5-6(4-11)2-7(9)3-8(5)10/h2-3H,4,11H2,1H3.
What are the key properties of (5-bromo-3-iodo-2-methylphenyl)methanamine?
(5-bromo-3-iodo-2-methylphenyl)methanamine has a molecular weight of 325.98 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-iodo-2-methylphenyl)methanamine is sourced from PubChem (CID 171018365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).