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

C13H18F3NO — CID 103864838

IUPAC2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1ccc(CN(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-2-11-3-5-12(6-4-11)9-17(7-8-18)10-13(14,15)16/h3-6,18H,2,7-10H2,1H3
InChIKeyDDNDIPMDJGUPCU-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.61
Rot. Bonds6

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

2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103864838) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103864838
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1ccc(CN(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-2-11-3-5-12(6-4-11)9-17(7-8-18)10-13(14,15)16/h3-6,18H,2,7-10H2,1H3
InChIKeyDDNDIPMDJGUPCU-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
2-[(3,4-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113341314
2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485867
2-[[4-(3-aminoprop-1-ynyl)phenyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484871
2-fluoro-4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 107480946
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
CID 62426087
2-[[4-(methylamino)-3-nitrophenyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486247
N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109987
N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494703
2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485767

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103864838) is 2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is CCc1ccc(CN(CCO)CC(F)(F)F)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is DDNDIPMDJGUPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-2-11-3-5-12(6-4-11)9-17(7-8-18)10-13(14,15)16/h3-6,18H,2,7-10H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 261.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103864838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).