2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine

C15H20BrN3O — CID 116834918

IUPAC2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(CN)c1ncc[nH]1
InChIInChI=1S/C15H20BrN3O/c1-8-9(2)14(20-4)12(10(3)13(8)16)11(7-17)15-18-5-6-19-15/h5-6,11H,7,17H2,1-4H3,(H,18,19)
InChIKeyDDCYCTZVIBFBEF-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.20
Rot. Bonds4

About 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine

2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine (PubChem CID 116834918) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine
PubChem CID116834918
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(CN)c1ncc[nH]1
InChIInChI=1S/C15H20BrN3O/c1-8-9(2)14(20-4)12(10(3)13(8)16)11(7-17)15-18-5-6-19-15/h5-6,11H,7,17H2,1-4H3,(H,18,19)
InChIKeyDDCYCTZVIBFBEF-UHFFFAOYSA-N
XLogP3.20
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxy-6-methylphenyl)-2-(1H-imidazol-2-yl)ethanamine
CID 116834895
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116855759
2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine
CID 116834897
2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116942465
2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834796
2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
CID 117115320
5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
CID 106997925
4-amino-4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butanenitrile
CID 116940096
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-chloro-N-methylethanamine
CID 116952703
2-(1H-imidazol-2-yl)-2-naphthalen-2-ylethanamine
CID 116834920
(E)-4-amino-4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)but-2-enoic acid
CID 116940947
2-(1-bromobutyl)-1H-imidazole
CID 19936731

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine (CID 116834918) is 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine is COc1c(C)c(C)c(Br)c(C)c1C(CN)c1ncc[nH]1.
What is the InChIKey of 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine?
The InChIKey is DDCYCTZVIBFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-8-9(2)14(20-4)12(10(3)13(8)16)11(7-17)15-18-5-6-19-15/h5-6,11H,7,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine?
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-(1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 116834918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).