2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol

C19H22F3NO — CID 22261527

IUPAC2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol
SMILESCC(C)(F)C(F)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H22F3NO/c1-19(2,22)18(21)14-5-3-4-12(10-14)11-16(23)17(24)13-6-8-15(20)9-7-13/h3-10,16-18,24H,11,23H2,1-2H3
InChIKeyXOUUZRHJXUHTPD-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.19
Rot. Bonds6

About 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol

2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol (PubChem CID 22261527) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol
PubChem CID22261527
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol
SMILESCC(C)(F)C(F)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H22F3NO/c1-19(2,22)18(21)14-5-3-4-12(10-14)11-16(23)17(24)13-6-8-15(20)9-7-13/h3-10,16-18,24H,11,23H2,1-2H3
InChIKeyXOUUZRHJXUHTPD-UHFFFAOYSA-N
XLogP4.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol (CID 22261527) is 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol is CC(C)(F)C(F)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is XOUUZRHJXUHTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-19(2,22)18(21)14-5-3-4-12(10-14)11-16(23)17(24)13-6-8-15(20)9-7-13/h3-10,16-18,24H,11,23H2,1-2H3.
What are the key properties of 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol?
2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 337.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(1,2-difluoro-2-methylpropyl)phenyl]-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 22261527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).