[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride

C15H20BrClN2O3 — CID 119757100

IUPAC[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H19BrN2O3.ClH/c16-12-3-1-2-11(8-12)14-10-18(5-7-21-14)15(19)13-9-17-4-6-20-13;/h1-3,8,13-14,17H,4-7,9-10H2;1H
InChIKeyHOCLREDSQZYZSX-UHFFFAOYSA-N
MW391.69 g/mol
LogP1.76
Rot. Bonds2

About [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride

[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride (PubChem CID 119757100) has the molecular formula C15H20BrClN2O3 and a molecular weight of 391.69 g/mol. Its IUPAC name is [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
PubChem CID119757100
Molecular FormulaC15H20BrClN2O3
Molecular Weight391.69 g/mol
Exact Mass390.03
IUPAC Name[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H19BrN2O3.ClH/c16-12-3-1-2-11(8-12)14-10-18(5-7-21-14)15(19)13-9-17-4-6-20-13;/h1-3,8,13-14,17H,4-7,9-10H2;1H
InChIKeyHOCLREDSQZYZSX-UHFFFAOYSA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308183
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119769231
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119757095
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119757086
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride?
The IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride (CID 119757100) is [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride?
The canonical SMILES for [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride is Cl.O=C(C1CNCCO1)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride?
The InChIKey is HOCLREDSQZYZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3.ClH/c16-12-3-1-2-11(8-12)14-10-18(5-7-21-14)15(19)13-9-17-4-6-20-13;/h1-3,8,13-14,17H,4-7,9-10H2;1H.
What are the key properties of [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride?
[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride has a molecular weight of 391.69 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119757100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).