(1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol

C19H23F2NO — CID 51941193

IUPAC(1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(CNC[C@H](O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H23F2NO/c1-19(2,3)14-6-4-13(5-7-14)11-22-12-18(23)16-9-8-15(20)10-17(16)21/h4-10,18,22-23H,11-12H2,1-3H3/t18-/m0/s1
InChIKeyUIMQVTQYGDWWAD-SFHVURJKSA-N
MW319.40 g/mol
LogP4.09
Rot. Bonds5

About (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol

(1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol (PubChem CID 51941193) has the molecular formula C19H23F2NO and a molecular weight of 319.40 g/mol. Its IUPAC name is (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol
PubChem CID51941193
Molecular FormulaC19H23F2NO
Molecular Weight319.40 g/mol
Exact Mass319.17
IUPAC Name(1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(CNC[C@H](O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H23F2NO/c1-19(2,3)14-6-4-13(5-7-14)11-22-12-18(23)16-9-8-15(20)10-17(16)21/h4-10,18,22-23H,11-12H2,1-3H3/t18-/m0/s1
InChIKeyUIMQVTQYGDWWAD-SFHVURJKSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol (CID 51941193) is (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol is CC(C)(C)c1ccc(CNC[C@H](O)c2ccc(F)cc2F)cc1.
What is the InChIKey of (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is UIMQVTQYGDWWAD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-19(2,3)14-6-4-13(5-7-14)11-22-12-18(23)16-9-8-15(20)10-17(16)21/h4-10,18,22-23H,11-12H2,1-3H3/t18-/m0/s1.
What are the key properties of (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol?
(1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 319.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(4-tert-butylphenyl)methylamino]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 51941193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).