3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one

C14H20N2O2 — CID 93112029

IUPAC3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1COCCN1C(=O)CCc1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-11-10-18-8-7-16(11)14(17)6-5-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10,15H2,1H3/t11-/m1/s1
InChIKeyDSODUPIUELYDDC-LLVKDONJSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds3

About 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one

3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one (PubChem CID 93112029) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
PubChem CID93112029
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1COCCN1C(=O)CCc1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-11-10-18-8-7-16(11)14(17)6-5-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10,15H2,1H3/t11-/m1/s1
InChIKeyDSODUPIUELYDDC-LLVKDONJSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
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

2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 106773667
4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 110631138
3-(3-aminophenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102882275
1-[3-(3-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742921
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 43309137
1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 94647439
3-(3-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114591852
methyl 1-[3-(3-aminophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 80704732
3-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409448
oxolan-3-yl 3-(3-aminophenyl)propanoate
CID 80700797
3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740888

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one (CID 93112029) is 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one is C[C@@H]1COCCN1C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
The InChIKey is DSODUPIUELYDDC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-10-18-8-7-16(11)14(17)6-5-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10,15H2,1H3/t11-/m1/s1.
What are the key properties of 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 93112029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).