2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone

C17H27FN2O — CID 102995129

IUPAC2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
SMILESCCN(CC)CCCN(CC)CC(=O)c1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-4-19(5-2)12-9-13-20(6-3)14-17(21)15-10-7-8-11-16(15)18/h7-8,10-11H,4-6,9,12-14H2,1-3H3
InChIKeySHTFVPPRAXFUDJ-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.06
Rot. Bonds10

About 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone

2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone (PubChem CID 102995129) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
PubChem CID102995129
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
SMILESCCN(CC)CCCN(CC)CC(=O)c1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-4-19(5-2)12-9-13-20(6-3)14-17(21)15-10-7-8-11-16(15)18/h7-8,10-11H,4-6,9,12-14H2,1-3H3
InChIKeySHTFVPPRAXFUDJ-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

2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
CID 63696521
3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62035714
2-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]acetamide
CID 103103098
1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
CID 102995150
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709
1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
CID 104552726

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone (CID 102995129) is 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone is CCN(CC)CCCN(CC)CC(=O)c1ccccc1F.
What is the InChIKey of 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone?
The InChIKey is SHTFVPPRAXFUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-19(5-2)12-9-13-20(6-3)14-17(21)15-10-7-8-11-16(15)18/h7-8,10-11H,4-6,9,12-14H2,1-3H3.
What are the key properties of 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone?
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone 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 2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 102995129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).