2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine

C10H17BrN4O — CID 84743731

IUPAC2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine
SMILESCn1cnc(C(CN)N2CCOCC2)c1Br
InChIInChI=1S/C10H17BrN4O/c1-14-7-13-9(10(14)11)8(6-12)15-2-4-16-5-3-15/h7-8H,2-6,12H2,1H3
InChIKeyPUJPRKIHYYFHNI-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.51
Rot. Bonds3

About 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine

2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine (PubChem CID 84743731) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine
PubChem CID84743731
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine
SMILESCn1cnc(C(CN)N2CCOCC2)c1Br
InChIInChI=1S/C10H17BrN4O/c1-14-7-13-9(10(14)11)8(6-12)15-2-4-16-5-3-15/h7-8H,2-6,12H2,1H3
InChIKeyPUJPRKIHYYFHNI-UHFFFAOYSA-N
XLogP0.51
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethylimidazol-4-yl)-2-morpholin-4-ylethanamine
CID 84740438
2-(5-chloro-3-methylimidazol-4-yl)-2-morpholin-4-ylethanamine
CID 84741697
2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine
CID 84744118
2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 66117100
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine
CID 83089493
2-(1,3-dimethylpyrazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 83089014
2-(4-cyclopentylpiperazin-1-yl)-2-(1,5-dimethylimidazol-4-yl)ethanamine
CID 84743785
2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84744534
2-(2-ethylphenyl)-2-morpholin-4-ylethanamine
CID 62392799
2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethanamine
CID 118297300
2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine
CID 114077681
4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline
CID 16642854

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine (CID 84743731) is 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine is Cn1cnc(C(CN)N2CCOCC2)c1Br.
What is the InChIKey of 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine?
The InChIKey is PUJPRKIHYYFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-14-7-13-9(10(14)11)8(6-12)15-2-4-16-5-3-15/h7-8H,2-6,12H2,1H3.
What are the key properties of 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine?
2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine has a molecular weight of 289.18 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 84743731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).