3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one

C15H22N2O2 — CID 61430840

IUPAC3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCC1(C)COCCN1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(2)11-19-9-8-17(15)14(18)10-13(16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3
InChIKeyARYQYRURCJTGQN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one

3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one (PubChem CID 61430840) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
PubChem CID61430840
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCC1(C)COCCN1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(2)11-19-9-8-17(15)14(18)10-13(16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3
InChIKeyARYQYRURCJTGQN-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430243
3-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 91659823
(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one
CID 99850208
3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63633887
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
CID 110353781
1-(2-chlorophenyl)-4-(3,3-dimethylmorpholin-4-yl)butane-1,4-dione
CID 110624363
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 61428605
2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110353774
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 119951631
1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110421746

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one (CID 61430840) is 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one is CC1(C)COCCN1C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The InChIKey is ARYQYRURCJTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)11-19-9-8-17(15)14(18)10-13(16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3.
What are the key properties of 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 61430840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).