3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one

C16H25FN2O — CID 102997005

IUPAC3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
SMILESCCN(CCCN(C)C)CCC(=O)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-4-19(12-7-11-18(2)3)13-10-16(20)14-8-5-6-9-15(14)17/h5-6,8-9H,4,7,10-13H2,1-3H3
InChIKeyPZGMPQZGRZBRIP-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds9

About 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one

3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one (PubChem CID 102997005) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
PubChem CID102997005
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
SMILESCCN(CCCN(C)C)CCC(=O)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-4-19(12-7-11-18(2)3)13-10-16(20)14-8-5-6-9-15(14)17/h5-6,8-9H,4,7,10-13H2,1-3H3
InChIKeyPZGMPQZGRZBRIP-UHFFFAOYSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709
4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
CID 102995017
3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324770
1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
CID 113476348
2-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]acetamide
CID 103103098
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-one
CID 79021474
1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62645290
2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
CID 63696521
3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62035714

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one (CID 102997005) is 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one is CCN(CCCN(C)C)CCC(=O)c1ccccc1F.
What is the InChIKey of 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one?
The InChIKey is PZGMPQZGRZBRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-19(12-7-11-18(2)3)13-10-16(20)14-8-5-6-9-15(14)17/h5-6,8-9H,4,7,10-13H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one?
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one has a molecular weight of 280.39 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 102997005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).