(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine

C12H14BrN3 — CID 65312123

IUPAC(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1nccn1C
InChIInChI=1S/C12H14BrN3/c1-8-3-4-9(13)7-10(8)11(14)12-15-5-6-16(12)2/h3-7,11H,14H2,1-2H3
InChIKeyXCEMKPFSXVJNCF-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.54
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine

(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine (PubChem CID 65312123) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
PubChem CID65312123
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1nccn1C
InChIInChI=1S/C12H14BrN3/c1-8-3-4-9(13)7-10(8)11(14)12-15-5-6-16(12)2/h3-7,11H,14H2,1-2H3
InChIKeyXCEMKPFSXVJNCF-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-bromophenyl)-(1-methylimidazol-2-yl)methanamine
CID 42220181
1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 81278716
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 63195529
(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860646
(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
CID 63974752
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 106791541
(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054403
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
2-(1-methylimidazol-2-yl)-2-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 116834976
(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 103523504

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine (CID 65312123) is (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine is Cc1ccc(Br)cc1C(N)c1nccn1C.
What is the InChIKey of (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The InChIKey is XCEMKPFSXVJNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-3-4-9(13)7-10(8)11(14)12-15-5-6-16(12)2/h3-7,11H,14H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine has a molecular weight of 280.17 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 65312123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).