4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one

C15H22FNO — CID 43792937

IUPAC4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
SMILESCCCN(CC)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-3-11-17(4-2)12-5-6-15(18)13-7-9-14(16)10-8-13/h7-10H,3-6,11-12H2,1-2H3
InChIKeySACLGVJDVVQIMW-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.52
Rot. Bonds8

About 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one

4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one (PubChem CID 43792937) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
PubChem CID43792937
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
SMILESCCCN(CC)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-3-11-17(4-2)12-5-6-15(18)13-7-9-14(16)10-8-13/h7-10H,3-6,11-12H2,1-2H3
InChIKeySACLGVJDVVQIMW-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
CID 102995017
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 115927903
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
N-[4-[4-(diethylamino)butanoyl]phenyl]acetamide
CID 160663659
1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55138272
4-ethylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43793961
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one (CID 43792937) is 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one is CCCN(CC)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is SACLGVJDVVQIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-11-17(4-2)12-5-6-15(18)13-7-9-14(16)10-8-13/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one?
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 251.34 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 43792937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).