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

C17H19F3N2O2 — CID 18371918

IUPAC2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol
SMILESNc1ccc(N(CCO)CCO)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)15-4-2-1-3-13(15)14-11-12(5-6-16(14)21)22(7-9-23)8-10-24/h1-6,11,23-24H,7-10,21H2
InChIKeyBWQZZSCBRCONFC-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.75
Rot. Bonds6

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

2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol (PubChem CID 18371918) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol
PubChem CID18371918
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol
SMILESNc1ccc(N(CCO)CCO)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)15-4-2-1-3-13(15)14-11-12(5-6-16(14)21)22(7-9-23)8-10-24/h1-6,11,23-24H,7-10,21H2
InChIKeyBWQZZSCBRCONFC-UHFFFAOYSA-N
XLogP2.75
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol (CID 18371918) is 2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol is Nc1ccc(N(CCO)CCO)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol?
The InChIKey is BWQZZSCBRCONFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)15-4-2-1-3-13(15)14-11-12(5-6-16(14)21)22(7-9-23)8-10-24/h1-6,11,23-24H,7-10,21H2.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol has a molecular weight of 340.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol is sourced from PubChem (CID 18371918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).