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

C15H22FNO2 — CID 82951174

IUPAC1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one
SMILESCOCCN(CC(=O)Cc1ccccc1F)C(C)C
InChIInChI=1S/C15H22FNO2/c1-12(2)17(8-9-19-3)11-14(18)10-13-6-4-5-7-15(13)16/h4-7,12H,8-11H2,1-3H3
InChIKeyJFWSZRABBZHUFK-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.29
Rot. Bonds8

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

1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one (PubChem CID 82951174) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one
PubChem CID82951174
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one
SMILESCOCCN(CC(=O)Cc1ccccc1F)C(C)C
InChIInChI=1S/C15H22FNO2/c1-12(2)17(8-9-19-3)11-14(18)10-13-6-4-5-7-15(13)16/h4-7,12H,8-11H2,1-3H3
InChIKeyJFWSZRABBZHUFK-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-hydroxyethyl(propan-2-yl)amino]propan-2-one
CID 62031287
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55010600
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
CID 54999548
4-fluoro-3-[[2-methoxyethyl(propan-2-yl)amino]methyl]benzoic acid
CID 82965404
1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55002178
3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 108897546
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55185523
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 115997200
propan-2-yl 3-(2-fluorophenyl)-2-oxopropanoate
CID 18370977
1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
CID 62030901
1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one
CID 43795409

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one (CID 82951174) is 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one is COCCN(CC(=O)Cc1ccccc1F)C(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one?
The InChIKey is JFWSZRABBZHUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(2)17(8-9-19-3)11-14(18)10-13-6-4-5-7-15(13)16/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one?
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]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-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one is sourced from PubChem (CID 82951174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).