4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride

C14H20BrClN2O2 — CID 119308203

IUPAC4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O2.ClH/c15-12-4-1-3-11(9-12)13-10-17(7-8-19-13)14(18)5-2-6-16;/h1,3-4,9,13H,2,5-8,10,16H2;1H
InChIKeyWJYLQVKIXKIVJX-UHFFFAOYSA-N
MW363.68 g/mol
LogP2.51
Rot. Bonds4

About 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride

4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride (PubChem CID 119308203) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
PubChem CID119308203
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O2.ClH/c15-12-4-1-3-11(9-12)13-10-17(7-8-19-13)14(18)5-2-6-16;/h1,3-4,9,13H,2,5-8,10,16H2;1H
InChIKeyWJYLQVKIXKIVJX-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
CID 120609994
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119757086
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride (CID 119308203) is 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride is Cl.NCCCC(=O)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride?
The InChIKey is WJYLQVKIXKIVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2.ClH/c15-12-4-1-3-11(9-12)13-10-17(7-8-19-13)14(18)5-2-6-16;/h1,3-4,9,13H,2,5-8,10,16H2;1H.
What are the key properties of 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride?
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119308203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).