2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol

C13H18F3NO — CID 782481

IUPAC2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol
SMILESCCCN(CCO)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-2-7-17(8-9-18)10-11-5-3-4-6-12(11)13(14,15)16/h3-6,18H,2,7-10H2,1H3
InChIKeyRGYYHJLINAHYBZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.91
Rot. Bonds6

About 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol

2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol (PubChem CID 782481) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol
PubChem CID782481
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol
SMILESCCCN(CCO)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-2-7-17(8-9-18)10-11-5-3-4-6-12(11)13(14,15)16/h3-6,18H,2,7-10H2,1H3
InChIKeyRGYYHJLINAHYBZ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol (CID 782481) is 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol is CCCN(CCO)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The InChIKey is RGYYHJLINAHYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-2-7-17(8-9-18)10-11-5-3-4-6-12(11)13(14,15)16/h3-6,18H,2,7-10H2,1H3.
What are the key properties of 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol?
2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol has a molecular weight of 261.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 782481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).