2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol

C16H15ClF3NO — CID 54222843

IUPAC2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol
SMILESNc1c(CCO)cc(C(F)(F)F)cc1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF3NO/c17-14-3-1-10(2-4-14)7-12-9-13(16(18,19)20)8-11(5-6-22)15(12)21/h1-4,8-9,22H,5-7,21H2
InChIKeyVAEDFNJOJMVUKB-UHFFFAOYSA-N
MW329.75 g/mol
LogP4.07
Rot. Bonds4

About 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol

2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 54222843) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol
PubChem CID54222843
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol
SMILESNc1c(CCO)cc(C(F)(F)F)cc1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF3NO/c17-14-3-1-10(2-4-14)7-12-9-13(16(18,19)20)8-11(5-6-22)15(12)21/h1-4,8-9,22H,5-7,21H2
InChIKeyVAEDFNJOJMVUKB-UHFFFAOYSA-N
XLogP4.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol (CID 54222843) is 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol is Nc1c(CCO)cc(C(F)(F)F)cc1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VAEDFNJOJMVUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO/c17-14-3-1-10(2-4-14)7-12-9-13(16(18,19)20)8-11(5-6-22)15(12)21/h1-4,8-9,22H,5-7,21H2.
What are the key properties of 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol?
2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 329.75 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 54222843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).