1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol

C15H13ClF3NO — CID 23131631

IUPAC1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
SMILESCc1cc(C(O)(c2ccc(Cl)cc2)C(F)(F)F)ccc1N
InChIInChI=1S/C15H13ClF3NO/c1-9-8-11(4-7-13(9)20)14(21,15(17,18)19)10-2-5-12(16)6-3-10/h2-8,21H,20H2,1H3
InChIKeyLYLXJUXYDLNURQ-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.03
Rot. Bonds2

About 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol

1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol (PubChem CID 23131631) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
PubChem CID23131631
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
SMILESCc1cc(C(O)(c2ccc(Cl)cc2)C(F)(F)F)ccc1N
InChIInChI=1S/C15H13ClF3NO/c1-9-8-11(4-7-13(9)20)14(21,15(17,18)19)10-2-5-12(16)6-3-10/h2-8,21H,20H2,1H3
InChIKeyLYLXJUXYDLNURQ-UHFFFAOYSA-N
XLogP4.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.03
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 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol (CID 23131631) is 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol is Cc1cc(C(O)(c2ccc(Cl)cc2)C(F)(F)F)ccc1N.
What is the InChIKey of 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
The InChIKey is LYLXJUXYDLNURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-9-8-11(4-7-13(9)20)14(21,15(17,18)19)10-2-5-12(16)6-3-10/h2-8,21H,20H2,1H3.
What are the key properties of 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol has a molecular weight of 315.72 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 23131631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).