N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine

C15H19Br2N3 — CID 107945887

IUPACN-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1Br)c1nccn1CC
InChIInChI=1S/C15H19Br2N3/c1-3-7-18-14(15-19-8-9-20(15)4-2)12-6-5-11(16)10-13(12)17/h5-6,8-10,14,18H,3-4,7H2,1-2H3
InChIKeyJZKYPHYGQWUWAU-UHFFFAOYSA-N
MW401.15 g/mol
LogP4.52
Rot. Bonds6

About N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine

N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 107945887) has the molecular formula C15H19Br2N3 and a molecular weight of 401.15 g/mol. Its IUPAC name is N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
PubChem CID107945887
Molecular FormulaC15H19Br2N3
Molecular Weight401.15 g/mol
Exact Mass398.99
IUPAC NameN-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1Br)c1nccn1CC
InChIInChI=1S/C15H19Br2N3/c1-3-7-18-14(15-19-8-9-20(15)4-2)12-6-5-11(16)10-13(12)17/h5-6,8-10,14,18H,3-4,7H2,1-2H3
InChIKeyJZKYPHYGQWUWAU-UHFFFAOYSA-N
XLogP4.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 107945885
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
N-[(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945889
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318558
N-[(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 61314827
4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline
CID 105263384
N-[(2,5-dibromothiophen-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 107965332
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[(2,4-dibromophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107950445
N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine
CID 112742724
N-[(1-ethylimidazol-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 61315206

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine (CID 107945887) is N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1Br)c1nccn1CC.
What is the InChIKey of N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is JZKYPHYGQWUWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2N3/c1-3-7-18-14(15-19-8-9-20(15)4-2)12-6-5-11(16)10-13(12)17/h5-6,8-10,14,18H,3-4,7H2,1-2H3.
What are the key properties of N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine?
N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 401.15 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107945887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).