2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol

C11H15F3N2O2 — CID 107478362

IUPAC2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCOc1ccc(N)c(N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2/c1-18-8-2-3-9(15)10(6-8)16(4-5-17)7-11(12,13)14/h2-3,6,17H,4-5,7,15H2,1H3
InChIKeySTXOFSORUWHYKK-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107478362) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107478362
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCOc1ccc(N)c(N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2/c1-18-8-2-3-9(15)10(6-8)16(4-5-17)7-11(12,13)14/h2-3,6,17H,4-5,7,15H2,1H3
InChIKeySTXOFSORUWHYKK-UHFFFAOYSA-N
XLogP1.64
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478310
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybenzenecarbothioamide
CID 81306601
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
methyl 4-amino-3-[bis(2-hydroxyethyl)amino]benzoate
CID 82786040
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596
4-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 82785995
N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103857335
2-(2-amino-N-ethyl-5-methylanilino)ethanol
CID 57376084
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495546

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107478362) is 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol is COc1ccc(N)c(N(CCO)CC(F)(F)F)c1.
What is the InChIKey of 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is STXOFSORUWHYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-18-8-2-3-9(15)10(6-8)16(4-5-17)7-11(12,13)14/h2-3,6,17H,4-5,7,15H2,1H3.
What are the key properties of 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 264.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107478362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).