2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one

C16H23NO2 — CID 62613157

IUPAC2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
SMILESCC(CN(C)CC1CCCO1)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(16(18)14-7-4-3-5-8-14)11-17(2)12-15-9-6-10-19-15/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyLDFYWMPMVMMTGW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.62
Rot. Bonds6

About 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one

2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one (PubChem CID 62613157) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
PubChem CID62613157
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
SMILESCC(CN(C)CC1CCCO1)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(16(18)14-7-4-3-5-8-14)11-17(2)12-15-9-6-10-19-15/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyLDFYWMPMVMMTGW-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
CID 63712860
2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 61432396
3-[methyl(oxolan-2-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64566065
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
CID 114953371
3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996544
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
CID 94514227
2-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]benzoic acid
CID 104548757
3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid
CID 80997298
3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 63073130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one (CID 62613157) is 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one is CC(CN(C)CC1CCCO1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one?
The InChIKey is LDFYWMPMVMMTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(16(18)14-7-4-3-5-8-14)11-17(2)12-15-9-6-10-19-15/h3-5,7-8,13,15H,6,9-12H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one?
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 62613157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).