(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine

C13H16IN3 — CID 114283568

IUPAC(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cnc(C)n2C)c1I
InChIInChI=1S/C13H16IN3/c1-8-5-4-6-10(12(8)14)13(15)11-7-16-9(2)17(11)3/h4-7,13H,15H2,1-3H3
InChIKeyYXEDNOIVVFVGSC-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.69
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine

(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine (PubChem CID 114283568) has the molecular formula C13H16IN3 and a molecular weight of 341.20 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine
PubChem CID114283568
Molecular FormulaC13H16IN3
Molecular Weight341.20 g/mol
Exact Mass341.04
IUPAC Name(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cnc(C)n2C)c1I
InChIInChI=1S/C13H16IN3/c1-8-5-4-6-10(12(8)14)13(15)11-7-16-9(2)17(11)3/h4-7,13H,15H2,1-3H3
InChIKeyYXEDNOIVVFVGSC-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine
CID 114283525
(2,3-dimethylimidazol-4-yl)-(furan-3-yl)methanamine
CID 130518968
(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine
CID 114030256
1-(2-iodo-3-methylphenyl)propan-1-amine
CID 103846034
(2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine
CID 130518983
(1S)-1-(2-iodo-3-methylphenyl)prop-2-en-1-amine
CID 130706811
(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283580
(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283578
(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine
CID 114275416
3-(2,3-dimethylimidazol-4-yl)butan-1-amine
CID 82597545
2-[(2,3-dimethylimidazol-4-yl)-hydroxymethyl]benzoic acid
CID 175228818
2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine
CID 103845963

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine (CID 114283568) is (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine is Cc1cccc(C(N)c2cnc(C)n2C)c1I.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine?
The InChIKey is YXEDNOIVVFVGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3/c1-8-5-4-6-10(12(8)14)13(15)11-7-16-9(2)17(11)3/h4-7,13H,15H2,1-3H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine?
(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine has a molecular weight of 341.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine is sourced from PubChem (CID 114283568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).