3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one

C17H24FNO2 — CID 115996544

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCCN(CC1CCCO1)CC(C)C(=O)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-3-19(12-14-7-6-10-21-14)11-13(2)17(20)15-8-4-5-9-16(15)18/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyUFHUGBCOUMBGCG-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.15
Rot. Bonds7

About 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one

3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one (PubChem CID 115996544) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
PubChem CID115996544
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCCN(CC1CCCO1)CC(C)C(=O)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-3-19(12-14-7-6-10-21-14)11-13(2)17(20)15-8-4-5-9-16(15)18/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyUFHUGBCOUMBGCG-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679711
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880699
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
1-[2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 61434391
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565145
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
CID 82328121

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one (CID 115996544) is 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one is CCN(CC1CCCO1)CC(C)C(=O)c1ccccc1F.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is UFHUGBCOUMBGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-3-19(12-14-7-6-10-21-14)11-13(2)17(20)15-8-4-5-9-16(15)18/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3.
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one?
3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 115996544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).