2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol

C19H24FNO — CID 69342608

IUPAC2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(CNCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FNO/c1-19(2,3)16-8-4-14(5-9-16)12-21-13-18(22)15-6-10-17(20)11-7-15/h4-11,18,21-22H,12-13H2,1-3H3
InChIKeyWCIPOTOVPWVNQU-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.95
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol

2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 69342608) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID69342608
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(CNCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FNO/c1-19(2,3)16-8-4-14(5-9-16)12-21-13-18(22)15-6-10-17(20)11-7-15/h4-11,18,21-22H,12-13H2,1-3H3
InChIKeyWCIPOTOVPWVNQU-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol (CID 69342608) is 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol is CC(C)(C)c1ccc(CNCC(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is WCIPOTOVPWVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-19(2,3)16-8-4-14(5-9-16)12-21-13-18(22)15-6-10-17(20)11-7-15/h4-11,18,21-22H,12-13H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 301.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 69342608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).