N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine

C14H17BrFN3 — CID 65172669

IUPACN-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1Cc1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFN3/c1-3-17-7-13-8-18-10(2)19(13)9-11-4-5-12(16)6-14(11)15/h4-6,8,17H,3,7,9H2,1-2H3
InChIKeyCULRZEVAIUUZNO-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.25
Rot. Bonds5

About N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine

N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine (PubChem CID 65172669) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
PubChem CID65172669
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC NameN-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1Cc1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFN3/c1-3-17-7-13-8-18-10(2)19(13)9-11-4-5-12(16)6-14(11)15/h4-6,8,17H,3,7,9H2,1-2H3
InChIKeyCULRZEVAIUUZNO-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-chloro-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172412
N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172672
N-[[3-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 106272907
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 114349347
N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 82924721
N-[[3-[(2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 114934374
N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
CID 65173041
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 104811800
N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65171768
N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65172284
N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 65173082
N-[(3-butyl-2-methylimidazol-4-yl)methyl]ethanamine
CID 65172409

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine (CID 65172669) is N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine is CCNCc1cnc(C)n1Cc1ccc(F)cc1Br.
What is the InChIKey of N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The InChIKey is CULRZEVAIUUZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-17-7-13-8-18-10(2)19(13)9-11-4-5-12(16)6-14(11)15/h4-6,8,17H,3,7,9H2,1-2H3.
What are the key properties of N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine has a molecular weight of 326.21 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65172669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).