(2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine

C14H19N3 — CID 114283525

IUPAC(2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2cnc(C)n2C)c1C
InChIInChI=1S/C14H19N3/c1-9-6-5-7-12(10(9)2)14(15)13-8-16-11(3)17(13)4/h5-8,14H,15H2,1-4H3
InChIKeyHHRNMVDJQVKKLN-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.39
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine

(2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine (PubChem CID 114283525) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine
PubChem CID114283525
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2cnc(C)n2C)c1C
InChIInChI=1S/C14H19N3/c1-9-6-5-7-12(10(9)2)14(15)13-8-16-11(3)17(13)4/h5-8,14H,15H2,1-4H3
InChIKeyHHRNMVDJQVKKLN-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine
CID 114283568
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(2,3-dimethylimidazol-4-yl)-(furan-3-yl)methanamine
CID 130518968
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
CID 105054313
(2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine
CID 130518983
(2,3-dimethylphenyl)-(2-iodophenyl)methanamine
CID 115850479
(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283580
(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283578
1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 115850536
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
2-[(2,3-dimethylimidazol-4-yl)-hydroxymethyl]benzoic acid
CID 175228818
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine
CID 105043065

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine (CID 114283525) is (2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)c2cnc(C)n2C)c1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine?
The InChIKey is HHRNMVDJQVKKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-6-5-7-12(10(9)2)14(15)13-8-16-11(3)17(13)4/h5-8,14H,15H2,1-4H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine?
(2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.39, 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)-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 114283525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).