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

C15H22BrClN2O3 — CID 120590693

IUPAC4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCOC(c2cccc(Br)c2)C1.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-20-13(9-17)8-15(19)18-5-6-21-14(10-18)11-3-2-4-12(16)7-11;/h2-4,7,13-14H,5-6,8-10,17H2,1H3;1H
InChIKeyNDOZUGRMPWEXTC-UHFFFAOYSA-N
MW393.71 g/mol
LogP2.13
Rot. Bonds5

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

4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride (PubChem CID 120590693) has the molecular formula C15H22BrClN2O3 and a molecular weight of 393.71 g/mol. Its IUPAC name is 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
PubChem CID120590693
Molecular FormulaC15H22BrClN2O3
Molecular Weight393.71 g/mol
Exact Mass392.05
IUPAC Name4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCOC(c2cccc(Br)c2)C1.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-20-13(9-17)8-15(19)18-5-6-21-14(10-18)11-3-2-4-12(16)7-11;/h2-4,7,13-14H,5-6,8-10,17H2,1H3;1H
InChIKeyNDOZUGRMPWEXTC-UHFFFAOYSA-N
XLogP2.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride
CID 120590709
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
CID 120609994
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]-2-(4-methylphenyl)ethanone
CID 120667995
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride (CID 120590693) is 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride is COC(CN)CC(=O)N1CCOC(c2cccc(Br)c2)C1.Cl.
What is the InChIKey of 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride?
The InChIKey is NDOZUGRMPWEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3.ClH/c1-20-13(9-17)8-15(19)18-5-6-21-14(10-18)11-3-2-4-12(16)7-11;/h2-4,7,13-14H,5-6,8-10,17H2,1H3;1H.
What are the key properties of 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride?
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride has a molecular weight of 393.71 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride is sourced from PubChem (CID 120590693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).