1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one

C15H21F2NO — CID 43796194

IUPAC1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
SMILESCCC(C)CN(C)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-5-10(2)9-18(4)11(3)15(19)12-6-7-13(16)14(17)8-12/h6-8,10-11H,5,9H2,1-4H3
InChIKeyCYLZSMJSSWWDPX-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.51
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one

1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one (PubChem CID 43796194) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
PubChem CID43796194
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
SMILESCCC(C)CN(C)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-5-10(2)9-18(4)11(3)15(19)12-6-7-13(16)14(17)8-12/h6-8,10-11H,5,9H2,1-4H3
InChIKeyCYLZSMJSSWWDPX-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
CID 43795734
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
1-(3,4-difluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]propan-1-one
CID 79850848
1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368
2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 62035540
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273847
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708727
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
2-butan-2-ylsulfinyl-1-(3,4-difluorophenyl)propan-1-one
CID 64640863
N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295369
1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one
CID 79476971

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one (CID 43796194) is 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one is CCC(C)CN(C)C(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one?
The InChIKey is CYLZSMJSSWWDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-5-10(2)9-18(4)11(3)15(19)12-6-7-13(16)14(17)8-12/h6-8,10-11H,5,9H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one?
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one has a molecular weight of 269.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one is sourced from PubChem (CID 43796194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).