2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C13H18F3NO3 — CID 107485867

IUPAC2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOc1ccc(CN(CCO)CC(F)(F)F)cc1OC
InChIInChI=1S/C13H18F3NO3/c1-19-11-4-3-10(7-12(11)20-2)8-17(5-6-18)9-13(14,15)16/h3-4,7,18H,5-6,8-9H2,1-2H3
InChIKeyBDPPBPUDWCXWAH-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.06
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485867) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485867
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOc1ccc(CN(CCO)CC(F)(F)F)cc1OC
InChIInChI=1S/C13H18F3NO3/c1-19-11-4-3-10(7-12(11)20-2)8-17(5-6-18)9-13(14,15)16/h3-4,7,18H,5-6,8-9H2,1-2H3
InChIKeyBDPPBPUDWCXWAH-UHFFFAOYSA-N
XLogP2.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

N-(2-chloroethyl)-N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 107489039
2-[(3,4-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113341314
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 65338803
5-[[bis(2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065876
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62019836
1-(3-bromo-4-methoxyphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 107481321
1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 24714459
2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol
CID 62114410
2-[[4-(methylamino)-3-nitrophenyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486247
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107485867) is 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is COc1ccc(CN(CCO)CC(F)(F)F)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is BDPPBPUDWCXWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-19-11-4-3-10(7-12(11)20-2)8-17(5-6-18)9-13(14,15)16/h3-4,7,18H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 293.29 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).