2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one

C13H19FN2O — CID 82100482

IUPAC2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one
SMILESCC(NCCN(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(15-8-9-16(2)3)13(17)11-4-6-12(14)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyHPXMVMBRVZGLOR-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one

2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one (PubChem CID 82100482) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one
PubChem CID82100482
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one
SMILESCC(NCCN(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(15-8-9-16(2)3)13(17)11-4-6-12(14)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyHPXMVMBRVZGLOR-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100899
2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one
CID 82100821
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100437
1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
CID 82258109
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
2-[2-(dimethylamino)ethylamino]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82261920
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
methyl 3-[2-(dimethylamino)ethylamino]-4-(4-methylphenyl)-4-oxobutanoate
CID 82347484
1-(4-chlorophenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100428
1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
CID 82100622

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one (CID 82100482) is 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one is CC(NCCN(C)C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is HPXMVMBRVZGLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(15-8-9-16(2)3)13(17)11-4-6-12(14)7-5-11/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one?
2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 238.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 82100482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).