2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine

C12H14BrN3 — CID 116835106

IUPAC2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)c2ncc(Br)[nH]2)c1
InChIInChI=1S/C12H14BrN3/c1-8-3-2-4-9(5-8)10(6-14)12-15-7-11(13)16-12/h2-5,7,10H,6,14H2,1H3,(H,15,16)
InChIKeyIICUZUHDPBRSOS-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.57
Rot. Bonds3

About 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine

2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 116835106) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine
PubChem CID116835106
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)c2ncc(Br)[nH]2)c1
InChIInChI=1S/C12H14BrN3/c1-8-3-2-4-9(5-8)10(6-14)12-15-7-11(13)16-12/h2-5,7,10H,6,14H2,1H3,(H,15,16)
InChIKeyIICUZUHDPBRSOS-UHFFFAOYSA-N
XLogP2.57
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine
CID 116835043
2-(3-methylphenyl)-2-pyridin-3-ylethanamine
CID 68831421
5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one
CID 116835058
6-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 116835096
2-(5-bromo-1H-imidazol-2-yl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 116835069
2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 116835081
3-(5-bromo-1H-imidazol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 116834225
2,2-bis(3-methylphenyl)ethylphosphane
CID 175045111
2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 62878746
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine (CID 116835106) is 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine is Cc1cccc(C(CN)c2ncc(Br)[nH]2)c1.
What is the InChIKey of 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is IICUZUHDPBRSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-3-2-4-9(5-8)10(6-14)12-15-7-11(13)16-12/h2-5,7,10H,6,14H2,1H3,(H,15,16).
What are the key properties of 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine?
2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-imidazol-2-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 116835106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).