2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one

C15H19F2NO2 — CID 61451909

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one
SMILESCOCCN(C1CC1)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO2/c1-10(18(7-8-20-2)12-4-5-12)15(19)11-3-6-13(16)14(17)9-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyNSXRJJKSWDYVGL-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.65
Rot. Bonds7

About 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one

2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one (PubChem CID 61451909) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one
PubChem CID61451909
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one
SMILESCOCCN(C1CC1)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO2/c1-10(18(7-8-20-2)12-4-5-12)15(19)11-3-6-13(16)14(17)9-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyNSXRJJKSWDYVGL-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
CID 55001883
1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368
1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 61446211
3-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 63073825
1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
CID 43795734
N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61450272
1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948866
[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 167836585
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194
3-[cyclopropyl(2-methoxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 60951447
1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273847

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one (CID 61451909) is 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one is COCCN(C1CC1)C(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one?
The InChIKey is NSXRJJKSWDYVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-10(18(7-8-20-2)12-4-5-12)15(19)11-3-6-13(16)14(17)9-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3.
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one?
2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one has a molecular weight of 283.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 61451909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).