2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol

C19H22F3NO2 — CID 66717095

IUPAC2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C(O)CN
InChIInChI=1S/C19H22F3NO2/c1-11(2)12-4-7-18(25-3)16(8-12)14-6-5-13(19(20,21)22)9-15(14)17(24)10-23/h4-9,11,17,24H,10,23H2,1-3H3
InChIKeyOWVJNVABGGGMPH-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.50
Rot. Bonds5

About 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol

2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 66717095) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol
PubChem CID66717095
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C(O)CN
InChIInChI=1S/C19H22F3NO2/c1-11(2)12-4-7-18(25-3)16(8-12)14-6-5-13(19(20,21)22)9-15(14)17(24)10-23/h4-9,11,17,24H,10,23H2,1-3H3
InChIKeyOWVJNVABGGGMPH-UHFFFAOYSA-N
XLogP4.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol (CID 66717095) is 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol is COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C(O)CN.
What is the InChIKey of 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is OWVJNVABGGGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO2/c1-11(2)12-4-7-18(25-3)16(8-12)14-6-5-13(19(20,21)22)9-15(14)17(24)10-23/h4-9,11,17,24H,10,23H2,1-3H3.
What are the key properties of 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol?
2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 353.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 66717095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).