2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C12H15ClF3NO — CID 107485767

IUPAC2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1ccc(CN(CCO)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF3NO/c1-9-2-3-10(11(13)6-9)7-17(4-5-18)8-12(14,15)16/h2-3,6,18H,4-5,7-8H2,1H3
InChIKeyCLCQWZMXKXUARX-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.01
Rot. Bonds5

About 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485767) has the molecular formula C12H15ClF3NO and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485767
Molecular FormulaC12H15ClF3NO
Molecular Weight281.70 g/mol
Exact Mass281.08
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1ccc(CN(CCO)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF3NO/c1-9-2-3-10(11(13)6-9)7-17(4-5-18)8-12(14,15)16/h2-3,6,18H,4-5,7-8H2,1H3
InChIKeyCLCQWZMXKXUARX-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485069
3-[(2-chloro-4-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111022286
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 107479970
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
CID 106869320
2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864838
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
3-chloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarbothioamide
CID 102666186
4-fluoro-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 107480934
1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine
CID 142181266

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107485767) is 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Cc1ccc(CN(CCO)CC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CLCQWZMXKXUARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO/c1-9-2-3-10(11(13)6-9)7-17(4-5-18)8-12(14,15)16/h2-3,6,18H,4-5,7-8H2,1H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 281.70 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).