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

C17H19F3N2O2 — CID 18371473

IUPAC2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
SMILESNc1ccc(N(CCO)CCO)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)13-3-1-2-12(10-13)15-11-14(21)4-5-16(15)22(6-8-23)7-9-24/h1-5,10-11,23-24H,6-9,21H2
InChIKeyARWTUAMWXXSYHQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.75
Rot. Bonds6

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

2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol (PubChem CID 18371473) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
PubChem CID18371473
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
SMILESNc1ccc(N(CCO)CCO)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)13-3-1-2-12(10-13)15-11-14(21)4-5-16(15)22(6-8-23)7-9-24/h1-5,10-11,23-24H,6-9,21H2
InChIKeyARWTUAMWXXSYHQ-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol
CID 18371877
2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
CID 18371433
2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol
CID 18371922
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
2-[2-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 122476365
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152
2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371415
2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol
CID 18371662
2-[4-amino-2-[4-(aminomethyl)thiophen-3-yl]-N-(2-hydroxyethyl)anilino]ethanol
CID 23286932
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol
CID 18798766

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol (CID 18371473) is 2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol is Nc1ccc(N(CCO)CCO)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol?
The InChIKey is ARWTUAMWXXSYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)13-3-1-2-12(10-13)15-11-14(21)4-5-16(15)22(6-8-23)7-9-24/h1-5,10-11,23-24H,6-9,21H2.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-2-[3-(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)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol is sourced from PubChem (CID 18371473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).