2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol

C11H14ClF3N2O — CID 107478294

IUPAC2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCc1cc(N)c(Cl)cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c1-7-4-9(16)8(12)5-10(7)17(2-3-18)6-11(13,14)15/h4-5,18H,2-3,6,16H2,1H3
InChIKeyQTJVUDHGPJJYMU-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.59
Rot. Bonds4

About 2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107478294) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107478294
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCc1cc(N)c(Cl)cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c1-7-4-9(16)8(12)5-10(7)17(2-3-18)6-11(13,14)15/h4-5,18H,2-3,6,16H2,1H3
InChIKeyQTJVUDHGPJJYMU-UHFFFAOYSA-N
XLogP2.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.59
H-Bond Donors ≤ 52
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-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107478294) is 2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol is Cc1cc(N)c(Cl)cc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is QTJVUDHGPJJYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-7-4-9(16)8(12)5-10(7)17(2-3-18)6-11(13,14)15/h4-5,18H,2-3,6,16H2,1H3.
What are the key properties of 2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 282.69 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107478294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).