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

C15H20FNO — CID 63956709

IUPAC3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccccc1F)CC1CC1
InChIInChI=1S/C15H20FNO/c1-2-17(11-12-7-8-12)10-9-15(18)13-5-3-4-6-14(13)16/h3-6,12H,2,7-11H2,1H3
InChIKeyKTZIPVOWDSWAII-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.13
Rot. Bonds7

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

3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one (PubChem CID 63956709) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
PubChem CID63956709
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccccc1F)CC1CC1
InChIInChI=1S/C15H20FNO/c1-2-17(11-12-7-8-12)10-9-15(18)13-5-3-4-6-14(13)16/h3-6,12H,2,7-11H2,1H3
InChIKeyKTZIPVOWDSWAII-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 63956514
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 63954800
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 55099387
3-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoic acid
CID 107119511
3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 126835331
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one (CID 63956709) is 3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one is CCN(CCC(=O)c1ccccc1F)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The InChIKey is KTZIPVOWDSWAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-17(11-12-7-8-12)10-9-15(18)13-5-3-4-6-14(13)16/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 63956709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).