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

C14H19F2NO — CID 43795734

IUPAC1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
SMILESCC(C)CN(C)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-9(2)8-17(4)10(3)14(18)11-5-6-12(15)13(16)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyURBVUTZUYGLZEM-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.12
Rot. Bonds5

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

1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one (PubChem CID 43795734) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
PubChem CID43795734
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
SMILESCC(C)CN(C)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-9(2)8-17(4)10(3)14(18)11-5-6-12(15)13(16)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyURBVUTZUYGLZEM-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194
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
1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273847
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-ethoxy-3-methylbutan-1-one
CID 116708727
1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62333770
(2R)-2-[[deuterio(tritio)boranyl]methylsulfanyloxy]-1-(3,4-difluorophenyl)propan-1-one
CID 59043672
3-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]propanenitrile
CID 62036685
2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide
CID 62053086

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one (CID 43795734) is 1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one is CC(C)CN(C)C(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one?
The InChIKey is URBVUTZUYGLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(2)8-17(4)10(3)14(18)11-5-6-12(15)13(16)7-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one?
1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one has a molecular weight of 255.31 g/mol, XLogP of 3.12, 5 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-methylpropyl)amino]propan-1-one is sourced from PubChem (CID 43795734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).