1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

C14H18BrFN4 — CID 63013570

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1nccn1C)C(CN)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN4/c1-19-6-5-18-14(19)9-20(2)13(8-17)10-3-4-12(16)11(15)7-10/h3-7,13H,8-9,17H2,1-2H3
InChIKeyGQUBMAYNKUNBLC-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.45
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 63013570) has the molecular formula C14H18BrFN4 and a molecular weight of 341.23 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID63013570
Molecular FormulaC14H18BrFN4
Molecular Weight341.23 g/mol
Exact Mass340.07
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1nccn1C)C(CN)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN4/c1-19-6-5-18-14(19)9-20(2)13(8-17)10-3-4-12(16)11(15)7-10/h3-7,13H,8-9,17H2,1-2H3
InChIKeyGQUBMAYNKUNBLC-UHFFFAOYSA-N
XLogP2.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935606
1-(3-bromo-4-fluorophenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 55250020
1-(3-bromo-4-fluorophenyl)-N-(cyclobutylmethyl)-N-methylethane-1,2-diamine
CID 62860214
1-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427687
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 107520978
1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63013919
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983958
(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 97211639
1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75369079
1-(3-bromo-4-fluorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43266968

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (CID 63013570) is 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is CN(Cc1nccn1C)C(CN)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is GQUBMAYNKUNBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN4/c1-19-6-5-18-14(19)9-20(2)13(8-17)10-3-4-12(16)11(15)7-10/h3-7,13H,8-9,17H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 341.23 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63013570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).