N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

C17H24BrN3 — CID 107985190

IUPACN-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1cccc(C)c1Br
InChIInChI=1S/C17H24BrN3/c1-4-9-19-15(12-16-20-10-11-21(16)5-2)14-8-6-7-13(3)17(14)18/h6-8,10-11,15,19H,4-5,9,12H2,1-3H3
InChIKeyTYRQQTBIIFCFOU-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.26
Rot. Bonds7

About N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 107985190) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID107985190
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1cccc(C)c1Br
InChIInChI=1S/C17H24BrN3/c1-4-9-19-15(12-16-20-10-11-21(16)5-2)14-8-6-7-13(3)17(14)18/h6-8,10-11,15,19H,4-5,9,12H2,1-3H3
InChIKeyTYRQQTBIIFCFOU-UHFFFAOYSA-N
XLogP4.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
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[2-(1-ethylimidazol-2-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
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N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
N-[1-(3-bromothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
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1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
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N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 79752632
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
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N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009051
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009542
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715
N-[1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (CID 107985190) is N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CC)c1cccc(C)c1Br.
What is the InChIKey of N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is TYRQQTBIIFCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-4-9-19-15(12-16-20-10-11-21(16)5-2)14-8-6-7-13(3)17(14)18/h6-8,10-11,15,19H,4-5,9,12H2,1-3H3.
What are the key properties of N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107985190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).