2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol

C12H17F3N2O — CID 107481543

IUPAC2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCc1cc(CN)ccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-9-6-10(7-16)2-3-11(9)17(4-5-18)8-12(13,14)15/h2-3,6,18H,4-5,7-8,16H2,1H3
InChIKeyDTTUKEHLDIOIBF-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.81
Rot. Bonds5

About 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107481543) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107481543
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCc1cc(CN)ccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-9-6-10(7-16)2-3-11(9)17(4-5-18)8-12(13,14)15/h2-3,6,18H,4-5,7-8,16H2,1H3
InChIKeyDTTUKEHLDIOIBF-UHFFFAOYSA-N
XLogP1.81
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481554
2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
CID 107478462
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478489
4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63087010
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596
1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol
CID 107481059
2-[2-chloro-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481491
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
CID 82794580
2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608
4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62123132

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107481543) is 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol is Cc1cc(CN)ccc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is DTTUKEHLDIOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-9-6-10(7-16)2-3-11(9)17(4-5-18)8-12(13,14)15/h2-3,6,18H,4-5,7-8,16H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 262.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107481543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).