1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one

C19H22FNO2 — CID 174427298

IUPAC1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)ccc1-c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C19H22FNO2/c1-4-19(22)18-13-15(20)7-10-17(18)14-5-8-16(9-6-14)23-12-11-21(2)3/h5-10,13H,4,11-12H2,1-3H3
InChIKeyHWKRMBBBOUKCSG-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.03
Rot. Bonds7

About 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one

1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one (PubChem CID 174427298) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one
PubChem CID174427298
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)ccc1-c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C19H22FNO2/c1-4-19(22)18-13-15(20)7-10-17(18)14-5-8-16(9-6-14)23-12-11-21(2)3/h5-10,13H,4,11-12H2,1-3H3
InChIKeyHWKRMBBBOUKCSG-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(dimethylamino)ethoxy]phenyl]benzamide
CID 141367169
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
CID 82579503
(2S)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(4-fluorophenyl)phenyl]-4-methylpentan-1-one
CID 138667439
1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(4-fluorophenyl)phenyl]pentan-1-one
CID 138667876
1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
CID 174581854
methyl 3-[2-(dimethylamino)ethoxy]-4-(4-fluorophenyl)benzoate
CID 69037624
2-[4-[(E)-1,2-bis(4-fluorophenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 67476766
3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorobenzaldehyde
CID 39233423
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
methyl 2-amino-5-[4-[2-(dimethylamino)ethoxy]phenyl]benzoate
CID 82572923
(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
CID 63409331

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one?
The IUPAC name of 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one (CID 174427298) is 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one.
What is the SMILES notation for 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one?
The canonical SMILES for 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one is CCC(=O)c1cc(F)ccc1-c1ccc(OCCN(C)C)cc1.
What is the InChIKey of 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one?
The InChIKey is HWKRMBBBOUKCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-4-19(22)18-13-15(20)7-10-17(18)14-5-8-16(9-6-14)23-12-11-21(2)3/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one?
1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one has a molecular weight of 315.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one is sourced from PubChem (CID 174427298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).