4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one

C17H27FN2O — CID 102995017

IUPAC4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
SMILESCCN(CCCC(=O)c1ccc(F)cc1)CCCN(C)C
InChIInChI=1S/C17H27FN2O/c1-4-20(14-6-12-19(2)3)13-5-7-17(21)15-8-10-16(18)11-9-15/h8-11H,4-7,12-14H2,1-3H3
InChIKeyDUSNXAKNMYTNGB-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.06
Rot. Bonds10

About 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one

4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one (PubChem CID 102995017) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
PubChem CID102995017
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
SMILESCCN(CCCC(=O)c1ccc(F)cc1)CCCN(C)C
InChIInChI=1S/C17H27FN2O/c1-4-20(14-6-12-19(2)3)13-5-7-17(21)15-8-10-16(18)11-9-15/h8-11H,4-7,12-14H2,1-3H3
InChIKeyDUSNXAKNMYTNGB-UHFFFAOYSA-N
XLogP3.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937
3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 115927903
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
N-[4-[4-(diethylamino)butanoyl]phenyl]acetamide
CID 160663659
1-(4-bromophenyl)-4-[ethyl(2-methylpropyl)amino]butan-1-one
CID 43793005
2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 102995078

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one (CID 102995017) is 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one is CCN(CCCC(=O)c1ccc(F)cc1)CCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is DUSNXAKNMYTNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-20(14-6-12-19(2)3)13-5-7-17(21)15-8-10-16(18)11-9-15/h8-11H,4-7,12-14H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one?
4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 294.41 g/mol, XLogP of 3.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 102995017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).