1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol

C22H22FNO — CID 132591942

IUPAC1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
SMILESCc1ccc(NC(CC(O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H22FNO/c1-16-7-13-20(14-8-16)24-21(17-5-3-2-4-6-17)15-22(25)18-9-11-19(23)12-10-18/h2-14,21-22,24-25H,15H2,1H3
InChIKeyHLAUMRQRMDJGPI-UHFFFAOYSA-N
MW335.42 g/mol
LogP5.41
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol

1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol (PubChem CID 132591942) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
PubChem CID132591942
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC Name1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
SMILESCc1ccc(NC(CC(O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H22FNO/c1-16-7-13-20(14-8-16)24-21(17-5-3-2-4-6-17)15-22(25)18-9-11-19(23)12-10-18/h2-14,21-22,24-25H,15H2,1H3
InChIKeyHLAUMRQRMDJGPI-UHFFFAOYSA-N
XLogP5.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol (CID 132591942) is 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol is Cc1ccc(NC(CC(O)c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol?
The InChIKey is HLAUMRQRMDJGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-16-7-13-20(14-8-16)24-21(17-5-3-2-4-6-17)15-22(25)18-9-11-19(23)12-10-18/h2-14,21-22,24-25H,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol?
1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol has a molecular weight of 335.42 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol is sourced from PubChem (CID 132591942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).