2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol

C12H17F3N2O — CID 54879996

IUPAC2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
SMILESCCN(CCO)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C12H17F3N2O/c1-2-17(5-6-18)11-4-3-10(12(13,14)15)7-9(11)8-16/h3-4,7,18H,2,5-6,8,16H2,1H3
InChIKeyPKRBDTYRXUYKNN-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.98
Rot. Bonds5

About 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol

2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol (PubChem CID 54879996) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
PubChem CID54879996
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
SMILESCCN(CCO)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C12H17F3N2O/c1-2-17(5-6-18)11-4-3-10(12(13,14)15)7-9(11)8-16/h3-4,7,18H,2,5-6,8,16H2,1H3
InChIKeyPKRBDTYRXUYKNN-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
CID 107478462
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline
CID 43587076
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide
CID 43572623
2-N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187678
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
CID 43570550
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol
CID 65483629
2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62493136
3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol
CID 107733662
2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline
CID 61450425
3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 115911072

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol (CID 54879996) is 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol is CCN(CCO)c1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol?
The InChIKey is PKRBDTYRXUYKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-17(5-6-18)11-4-3-10(12(13,14)15)7-9(11)8-16/h3-4,7,18H,2,5-6,8,16H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol?
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol has a molecular weight of 262.27 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol is sourced from PubChem (CID 54879996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).