3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one

C19H22FNO2 — CID 12625681

IUPAC3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCNC(C)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-13-3-5-15(6-4-13)18(22)11-12-21-14(2)19(23)16-7-9-17(20)10-8-16/h3-10,14,19,21,23H,11-12H2,1-2H3
InChIKeyHZDLSWXFYLMXQX-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.42
Rot. Bonds7

About 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one

3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 12625681) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
PubChem CID12625681
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCNC(C)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-13-3-5-15(6-4-13)18(22)11-12-21-14(2)19(23)16-7-9-17(20)10-8-16/h3-10,14,19,21,23H,11-12H2,1-2H3
InChIKeyHZDLSWXFYLMXQX-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one
CID 110177830
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 111115069
3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
CID 10376307
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
CID 82312351
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451
1-(3,4-dimethoxyphenyl)-3-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]propan-1-one
CID 110174775
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
CID 82313119
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one (CID 12625681) is 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCNC(C)C(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is HZDLSWXFYLMXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13-3-5-15(6-4-13)18(22)11-12-21-14(2)19(23)16-7-9-17(20)10-8-16/h3-10,14,19,21,23H,11-12H2,1-2H3.
What are the key properties of 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one?
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 315.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 12625681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).