(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine

C13H16BrN3O2 — CID 103523504

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCOc1ccc(C(N)c2nccn2C)c(OC)c1Br
InChIInChI=1S/C13H16BrN3O2/c1-17-7-6-16-13(17)11(15)8-4-5-9(18-2)10(14)12(8)19-3/h4-7,11H,15H2,1-3H3
InChIKeyXPOUJLBYHKVCKA-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.25
Rot. Bonds4

About (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine

(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine (PubChem CID 103523504) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
PubChem CID103523504
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCOc1ccc(C(N)c2nccn2C)c(OC)c1Br
InChIInChI=1S/C13H16BrN3O2/c1-17-7-6-16-13(17)11(15)8-4-5-9(18-2)10(14)12(8)19-3/h4-7,11H,15H2,1-3H3
InChIKeyXPOUJLBYHKVCKA-UHFFFAOYSA-N
XLogP2.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 106791541
(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride
CID 52983573
(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine
CID 103523606
(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 103523603
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
CID 106851976
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123
(R)-(4-bromophenyl)-(1-methylimidazol-2-yl)methanamine
CID 42220181
2-[5-[amino-(1-methylimidazol-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114659273
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 107950938

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine (CID 103523504) is (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine is COc1ccc(C(N)c2nccn2C)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine?
The InChIKey is XPOUJLBYHKVCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-17-7-6-16-13(17)11(15)8-4-5-9(18-2)10(14)12(8)19-3/h4-7,11H,15H2,1-3H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine?
(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine has a molecular weight of 326.19 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 103523504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).