1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone

C19H23FN2O — CID 133435868

IUPAC1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C19H23FN2O/c1-14(12-22(3)13-16-8-5-4-6-9-16)21-18-11-7-10-17(20)19(18)15(2)23/h4-11,14,21H,12-13H2,1-3H3
InChIKeyKJOZLNNXUXPCDK-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.96
Rot. Bonds7

About 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone

1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone (PubChem CID 133435868) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone
PubChem CID133435868
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C19H23FN2O/c1-14(12-22(3)13-16-8-5-4-6-9-16)21-18-11-7-10-17(20)19(18)15(2)23/h4-11,14,21H,12-13H2,1-3H3
InChIKeyKJOZLNNXUXPCDK-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(1-phenylpropan-2-ylamino)benzoic acid
CID 79511012
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
1-[(2R)-1-[benzyl(methyl)amino]propan-2-yl]-3-(2,4,5-trifluorophenyl)urea
CID 97259038
1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
CID 130563731
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
1-N-benzyl-1-N-methyl-2-N-(4-methylsulfonylphenyl)propane-1,2-diamine
CID 133452642
2-(1-ethoxypropan-2-ylamino)-6-fluorobenzoic acid
CID 79522042
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-fluorobenzoic acid
CID 79522755
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
2-fluoro-6-(4-methylhexan-2-ylamino)benzoic acid
CID 79512135

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone (CID 133435868) is 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1NC(C)CN(C)Cc1ccccc1.
What is the InChIKey of 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone?
The InChIKey is KJOZLNNXUXPCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14(12-22(3)13-16-8-5-4-6-9-16)21-18-11-7-10-17(20)19(18)15(2)23/h4-11,14,21H,12-13H2,1-3H3.
What are the key properties of 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone?
1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone has a molecular weight of 314.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 133435868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).