2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride

C19H26BrClN2O2 — CID 119757086

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C19H25BrN2O2.ClH/c20-15-3-1-2-14(11-15)18-12-22(6-7-24-18)19(23)10-13-8-16-4-5-17(9-13)21-16;/h1-3,11,13,16-18,21H,4-10,12H2;1H
InChIKeyGVOKHTCTYVFTDJ-UHFFFAOYSA-N
MW429.79 g/mol
LogP3.69
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride (PubChem CID 119757086) has the molecular formula C19H26BrClN2O2 and a molecular weight of 429.79 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
PubChem CID119757086
Molecular FormulaC19H26BrClN2O2
Molecular Weight429.79 g/mol
Exact Mass428.09
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C19H25BrN2O2.ClH/c20-15-3-1-2-14(11-15)18-12-22(6-7-24-18)19(23)10-13-8-16-4-5-17(9-13)21-16;/h1-3,11,13,16-18,21H,4-10,12H2;1H
InChIKeyGVOKHTCTYVFTDJ-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride with MolForge

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Related Compounds

4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308183
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
CID 120609994
[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119757100
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119817666
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride (CID 119757086) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride?
The InChIKey is GVOKHTCTYVFTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O2.ClH/c20-15-3-1-2-14(11-15)18-12-22(6-7-24-18)19(23)10-13-8-16-4-5-17(9-13)21-16;/h1-3,11,13,16-18,21H,4-10,12H2;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride has a molecular weight of 429.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride is sourced from PubChem (CID 119757086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).