2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol

C11H14ClF3N2O — CID 107478489

IUPAC2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESNCc1ccc(Cl)cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c12-9-2-1-8(6-16)10(5-9)17(3-4-18)7-11(13,14)15/h1-2,5,18H,3-4,6-7,16H2
InChIKeyWKMBNZAUEIQOEN-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.16
Rot. Bonds5

About 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107478489) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107478489
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESNCc1ccc(Cl)cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c12-9-2-1-8(6-16)10(5-9)17(3-4-18)7-11(13,14)15/h1-2,5,18H,3-4,6-7,16H2
InChIKeyWKMBNZAUEIQOEN-UHFFFAOYSA-N
XLogP2.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.16
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-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62493136
2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861073
2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484431
2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481543
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62946184
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 19065069
2-(2-aminoethyl)-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861049
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494340

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107478489) is 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol is NCc1ccc(Cl)cc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is WKMBNZAUEIQOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c12-9-2-1-8(6-16)10(5-9)17(3-4-18)7-11(13,14)15/h1-2,5,18H,3-4,6-7,16H2.
What are the key properties of 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 282.69 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107478489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).