1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one

C15H22N2O2 — CID 82256494

IUPAC1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(N)cc2)CC(C)O1
InChIInChI=1S/C15H22N2O2/c1-10-8-17(9-11(2)19-10)12(3)15(18)13-4-6-14(16)7-5-13/h4-7,10-12H,8-9,16H2,1-3H3
InChIKeyVMSWUBCHGRRGBU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds3

About 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one

1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 82256494) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID82256494
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(N)cc2)CC(C)O1
InChIInChI=1S/C15H22N2O2/c1-10-8-17(9-11(2)19-10)12(3)15(18)13-4-6-14(16)7-5-13/h4-7,10-12H,8-9,16H2,1-3H3
InChIKeyVMSWUBCHGRRGBU-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one
CID 82256543
1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 104959387
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 60644884
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66391753
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
1-(4-bromophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114538607
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 43794581
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 82256494) is 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(C)C(=O)c2ccc(N)cc2)CC(C)O1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is VMSWUBCHGRRGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-17(9-11(2)19-10)12(3)15(18)13-4-6-14(16)7-5-13/h4-7,10-12H,8-9,16H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one?
1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 82256494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).