2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol

C15H15F3N2O — CID 18371433

IUPAC2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
SMILESNc1ccc(NCCO)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)11-3-1-2-10(8-11)13-9-12(19)4-5-14(13)20-6-7-21/h1-5,8-9,20-21H,6-7,19H2
InChIKeyMBZZNVYTPLTDEZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.36
Rot. Bonds4

About 2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol

2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol (PubChem CID 18371433) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
PubChem CID18371433
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
SMILESNc1ccc(NCCO)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)11-3-1-2-10(8-11)13-9-12(19)4-5-14(13)20-6-7-21/h1-5,8-9,20-21H,6-7,19H2
InChIKeyMBZZNVYTPLTDEZ-UHFFFAOYSA-N
XLogP3.36
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol?
The IUPAC name of 2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol (CID 18371433) is 2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol.
What is the SMILES notation for 2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol?
The canonical SMILES for 2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol is Nc1ccc(NCCO)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol?
The InChIKey is MBZZNVYTPLTDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)11-3-1-2-10(8-11)13-9-12(19)4-5-14(13)20-6-7-21/h1-5,8-9,20-21H,6-7,19H2.
What are the key properties of 2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol?
2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol has a molecular weight of 296.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol is sourced from PubChem (CID 18371433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).