1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one

C19H22FNO2 — CID 123670330

IUPAC1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one
SMILESCN(C)Cc1ccccc1C(=O)CCC(O)c1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-21(2)13-14-7-3-4-8-15(14)18(22)11-12-19(23)16-9-5-6-10-17(16)20/h3-10,19,23H,11-13H2,1-2H3
InChIKeyBZBZIBBGRVYJBB-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.58
Rot. Bonds7

About 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one

1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one (PubChem CID 123670330) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one
PubChem CID123670330
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one
SMILESCN(C)Cc1ccccc1C(=O)CCC(O)c1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-21(2)13-14-7-3-4-8-15(14)18(22)11-12-19(23)16-9-5-6-10-17(16)20/h3-10,19,23H,11-13H2,1-2H3
InChIKeyBZBZIBBGRVYJBB-UHFFFAOYSA-N
XLogP3.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one?
The IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one (CID 123670330) is 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one is CN(C)Cc1ccccc1C(=O)CCC(O)c1ccccc1F.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one?
The InChIKey is BZBZIBBGRVYJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-21(2)13-14-7-3-4-8-15(14)18(22)11-12-19(23)16-9-5-6-10-17(16)20/h3-10,19,23H,11-13H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one?
1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one has a molecular weight of 315.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one is sourced from PubChem (CID 123670330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).