N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine

C17H24BrN3 — CID 63968561

IUPACN-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1nccn1CCC
InChIInChI=1S/C17H24BrN3/c1-3-9-19-16(13-14-7-5-6-8-15(14)18)17-20-10-12-21(17)11-4-2/h5-8,10,12,16,19H,3-4,9,11,13H2,1-2H3
InChIKeyRQBJPASBSQCEJR-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.34
Rot. Bonds8

About N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine

N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 63968561) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID63968561
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1nccn1CCC
InChIInChI=1S/C17H24BrN3/c1-3-9-19-16(13-14-7-5-6-8-15(14)18)17-20-10-12-21(17)11-4-2/h5-8,10,12,16,19H,3-4,9,11,13H2,1-2H3
InChIKeyRQBJPASBSQCEJR-UHFFFAOYSA-N
XLogP4.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63970416
2-(2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)ethanamine
CID 63970219
N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 115622276
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975016
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
N-[2-(2-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105087534
N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 63968753
N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63970008
N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine
CID 107504146
N-[2-(2-bromophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105087531
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine (CID 63968561) is N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Br)c1nccn1CCC.
What is the InChIKey of N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is RQBJPASBSQCEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-3-9-19-16(13-14-7-5-6-8-15(14)18)17-20-10-12-21(17)11-4-2/h5-8,10,12,16,19H,3-4,9,11,13H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63968561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).