3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one

C19H21BrN2O2 — CID 120609994

IUPAC3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C19H21BrN2O2/c20-16-6-3-5-15(12-16)18-13-22(10-11-24-18)19(23)9-8-14-4-1-2-7-17(14)21/h1-7,12,18H,8-11,13,21H2
InChIKeyZVKZZJMAPCFSPO-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.56
Rot. Bonds4

About 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one

3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one (PubChem CID 120609994) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
PubChem CID120609994
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C19H21BrN2O2/c20-16-6-3-5-15(12-16)18-13-22(10-11-24-18)19(23)9-8-14-4-1-2-7-17(14)21/h1-7,12,18H,8-11,13,21H2
InChIKeyZVKZZJMAPCFSPO-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one
CID 120611548
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
CID 120610994
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
CID 110356623
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119757086

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one (CID 120609994) is 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one is Nc1ccccc1CCC(=O)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is ZVKZZJMAPCFSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-16-6-3-5-15(12-16)18-13-22(10-11-24-18)19(23)9-8-14-4-1-2-7-17(14)21/h1-7,12,18H,8-11,13,21H2.
What are the key properties of 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one?
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 389.29 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 120609994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).