1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone

C14H17F2NO2 — CID 61432500

IUPAC1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1F)CC1CCCO1
InChIInChI=1S/C14H17F2NO2/c1-17(8-11-3-2-6-19-11)9-14(18)12-5-4-10(15)7-13(12)16/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyRCYSBTRPOBGPFJ-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.26
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone

1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone (PubChem CID 61432500) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
PubChem CID61432500
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1F)CC1CCCO1
InChIInChI=1S/C14H17F2NO2/c1-17(8-11-3-2-6-19-11)9-14(18)12-5-4-10(15)7-13(12)16/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyRCYSBTRPOBGPFJ-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 106699147
2-[methyl(oxolan-2-ylmethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61432107
1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797495
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 107880722
methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate
CID 95333409
1-(2,4-difluorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950493
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone (CID 61432500) is 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone is CN(CC(=O)c1ccc(F)cc1F)CC1CCCO1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone?
The InChIKey is RCYSBTRPOBGPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-17(8-11-3-2-6-19-11)9-14(18)12-5-4-10(15)7-13(12)16/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone?
1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone has a molecular weight of 269.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 61432500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).