3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one

C15H20FNO — CID 62619022

IUPAC3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESCCCN(CCC(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C15H20FNO/c1-2-10-17(12-7-8-12)11-9-15(18)13-5-3-4-6-14(13)16/h3-6,12H,2,7-11H2,1H3
InChIKeyXRXJUCAQAOAMEC-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.27
Rot. Bonds7

About 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one

3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one (PubChem CID 62619022) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
PubChem CID62619022
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESCCCN(CCC(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C15H20FNO/c1-2-10-17(12-7-8-12)11-9-15(18)13-5-3-4-6-14(13)16/h3-6,12H,2,7-11H2,1H3
InChIKeyXRXJUCAQAOAMEC-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 55099387
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one
CID 62645176
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
3-[butyl(cyclopropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 61445346
N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43270414
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone
CID 18982031
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
1-(2-fluorophenyl)-3-propoxypropan-1-one
CID 105085598
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one (CID 62619022) is 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one is CCCN(CCC(=O)c1ccccc1F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one?
The InChIKey is XRXJUCAQAOAMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-10-17(12-7-8-12)11-9-15(18)13-5-3-4-6-14(13)16/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one?
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 62619022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).