3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one

C19H21BrN2O2 — CID 119950790

IUPAC3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCOC(c2cccc(Br)c2)C1)c1ccccc1
InChIInChI=1S/C19H21BrN2O2/c20-16-8-4-7-15(11-16)18-13-22(9-10-24-18)19(23)12-17(21)14-5-2-1-3-6-14/h1-8,11,17-18H,9-10,12-13,21H2
InChIKeyUNSPUPBBNVRQAZ-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.44
Rot. Bonds4

About 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one

3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one (PubChem CID 119950790) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
PubChem CID119950790
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCOC(c2cccc(Br)c2)C1)c1ccccc1
InChIInChI=1S/C19H21BrN2O2/c20-16-8-4-7-15(11-16)18-13-22(9-10-24-18)19(23)12-17(21)14-5-2-1-3-6-14/h1-8,11,17-18H,9-10,12-13,21H2
InChIKeyUNSPUPBBNVRQAZ-UHFFFAOYSA-N
XLogP3.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
CID 120609994
(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
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120667995
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119757086
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one (CID 119950790) is 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one is NC(CC(=O)N1CCOC(c2cccc(Br)c2)C1)c1ccccc1.
What is the InChIKey of 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one?
The InChIKey is UNSPUPBBNVRQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-16-8-4-7-15(11-16)18-13-22(9-10-24-18)19(23)12-17(21)14-5-2-1-3-6-14/h1-8,11,17-18H,9-10,12-13,21H2.
What are the key properties of 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one?
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one has a molecular weight of 389.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119950790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).