3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one

C18H20FNO — CID 62612670

IUPAC3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-14-3-7-16(8-4-14)18(21)11-12-20(2)13-15-5-9-17(19)10-6-15/h3-10H,11-13H2,1-2H3
InChIKeyPGEHGVKTHKWVDT-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.84
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one

3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one (PubChem CID 62612670) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
PubChem CID62612670
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-14-3-7-16(8-4-14)18(21)11-12-20(2)13-15-5-9-17(19)10-6-15/h3-10H,11-13H2,1-2H3
InChIKeyPGEHGVKTHKWVDT-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
3-[2,2-difluoroethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 84597537
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
CID 106801306
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 63484455
3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one (CID 62612670) is 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCN(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is PGEHGVKTHKWVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-14-3-7-16(8-4-14)18(21)11-12-20(2)13-15-5-9-17(19)10-6-15/h3-10H,11-13H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 285.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62612670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).