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

C17H20FNO — CID 61044971

IUPAC2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol
SMILESCCC(CO)(Nc1ccccc1C)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(12-20,14-8-10-15(18)11-9-14)19-16-7-5-4-6-13(16)2/h4-11,19-20H,3,12H2,1-2H3
InChIKeyJZPDOPAYUSJMND-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.84
Rot. Bonds5

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

2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol (PubChem CID 61044971) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol
PubChem CID61044971
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol
SMILESCCC(CO)(Nc1ccccc1C)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(12-20,14-8-10-15(18)11-9-14)19-16-7-5-4-6-13(16)2/h4-11,19-20H,3,12H2,1-2H3
InChIKeyJZPDOPAYUSJMND-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol (CID 61044971) is 2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol is CCC(CO)(Nc1ccccc1C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol?
The InChIKey is JZPDOPAYUSJMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-17(12-20,14-8-10-15(18)11-9-14)19-16-7-5-4-6-13(16)2/h4-11,19-20H,3,12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol?
2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(2-methylanilino)butan-1-ol is sourced from PubChem (CID 61044971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).