2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one

C16H16FNO — CID 116552398

IUPAC2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one
SMILESCc1ccc(F)cc1C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H16FNO/c1-11-7-8-13(17)10-14(11)16(19)15(18)9-12-5-3-2-4-6-12/h2-8,10,15H,9,18H2,1H3
InChIKeyRRFRGMXMMOBUHV-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one

2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one (PubChem CID 116552398) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one
PubChem CID116552398
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one
SMILESCc1ccc(F)cc1C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H16FNO/c1-11-7-8-13(17)10-14(11)16(19)15(18)9-12-5-3-2-4-6-12/h2-8,10,15H,9,18H2,1H3
InChIKeyRRFRGMXMMOBUHV-UHFFFAOYSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
[(2S)-2-amino-3-(4-fluorophenyl)propanoyl] (2S)-2-amino-3-phenylpropanoate
CID 57161238
2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one
CID 116552464
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267965
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
(2,3,4,5,6-pentafluorophenyl) (2S)-2-amino-3-phenylpropanoate
CID 87471483
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one (CID 116552398) is 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one is Cc1ccc(F)cc1C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is RRFRGMXMMOBUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-7-8-13(17)10-14(11)16(19)15(18)9-12-5-3-2-4-6-12/h2-8,10,15H,9,18H2,1H3.
What are the key properties of 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one?
2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one has a molecular weight of 257.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 116552398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).