1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol

C23H24FNO — CID 68658256

IUPAC1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol
SMILESOC(CCc1ccc(F)cc1)CNc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C23H24FNO/c24-21-11-6-18(7-12-21)10-15-23(26)17-25-22-13-8-20(9-14-22)16-19-4-2-1-3-5-19/h1-9,11-14,23,25-26H,10,15-17H2
InChIKeyOFNCHGZRJDKQDS-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.82
Rot. Bonds8

About 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol

1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol (PubChem CID 68658256) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol
PubChem CID68658256
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol
SMILESOC(CCc1ccc(F)cc1)CNc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C23H24FNO/c24-21-11-6-18(7-12-21)10-15-23(26)17-25-22-13-8-20(9-14-22)16-19-4-2-1-3-5-19/h1-9,11-14,23,25-26H,10,15-17H2
InChIKeyOFNCHGZRJDKQDS-UHFFFAOYSA-N
XLogP4.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol (CID 68658256) is 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol is OC(CCc1ccc(F)cc1)CNc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol?
The InChIKey is OFNCHGZRJDKQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO/c24-21-11-6-18(7-12-21)10-15-23(26)17-25-22-13-8-20(9-14-22)16-19-4-2-1-3-5-19/h1-9,11-14,23,25-26H,10,15-17H2.
What are the key properties of 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol?
1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol has a molecular weight of 349.45 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol is sourced from PubChem (CID 68658256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).