1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine

C15H20BrN3O — CID 114530902

IUPAC1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCCc1nccn1C
InChIInChI=1S/C15H20BrN3O/c1-11(17)9-12-10-13(16)3-4-14(12)20-8-5-15-18-6-7-19(15)2/h3-4,6-7,10-11H,5,8-9,17H2,1-2H3
InChIKeyUAAAIRNXCDVLEU-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.69
Rot. Bonds6

About 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine

1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 114530902) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
PubChem CID114530902
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCCc1nccn1C
InChIInChI=1S/C15H20BrN3O/c1-11(17)9-12-10-13(16)3-4-14(12)20-8-5-15-18-6-7-19(15)2/h3-4,6-7,10-11H,5,8-9,17H2,1-2H3
InChIKeyUAAAIRNXCDVLEU-UHFFFAOYSA-N
XLogP2.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]butan-2-amine
CID 114530903
1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114527270
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934191
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890
1-(5-bromo-2-octoxyphenyl)propan-2-amine
CID 63421163
1-(5-bromo-2-propoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237378
1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 114528382
1-[5-[2-(1-methylimidazol-2-yl)ethoxy]-2-pyridinyl]propan-2-amine
CID 114530931
1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566147
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 107696232

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine (CID 114530902) is 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine is CC(N)Cc1cc(Br)ccc1OCCc1nccn1C.
What is the InChIKey of 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is UAAAIRNXCDVLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-11(17)9-12-10-13(16)3-4-14(12)20-8-5-15-18-6-7-19(15)2/h3-4,6-7,10-11H,5,8-9,17H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine?
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 338.25 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 114530902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).