1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one

C15H22FNO2 — CID 55010600

IUPAC1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
SMILESCCN(CC(=O)Cc1ccccc1F)C(C)COC
InChIInChI=1S/C15H22FNO2/c1-4-17(12(2)11-19-3)10-14(18)9-13-7-5-6-8-15(13)16/h5-8,12H,4,9-11H2,1-3H3
InChIKeyXGGKFDFDUKVACJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.29
Rot. Bonds8

About 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one

1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one (PubChem CID 55010600) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
PubChem CID55010600
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
SMILESCCN(CC(=O)Cc1ccccc1F)C(C)COC
InChIInChI=1S/C15H22FNO2/c1-4-17(12(2)11-19-3)10-14(18)9-13-7-5-6-8-15(13)16/h5-8,12H,4,9-11H2,1-3H3
InChIKeyXGGKFDFDUKVACJ-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one
CID 82951174
1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
CID 62031287
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
CID 112616142
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
CID 55010646
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
CID 54999548
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide
CID 103103060
1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 43794948
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
CID 54946725
propan-2-yl 3-(2-fluorophenyl)-2-oxopropanoate
CID 18370977
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one (CID 55010600) is 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one is CCN(CC(=O)Cc1ccccc1F)C(C)COC.
What is the InChIKey of 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one?
The InChIKey is XGGKFDFDUKVACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-17(12(2)11-19-3)10-14(18)9-13-7-5-6-8-15(13)16/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one?
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one has a molecular weight of 267.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 55010600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).