2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol

C16H17F2NO — CID 757598

IUPAC2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO/c17-15-7-6-14(10-16(15)18)12-19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2
InChIKeyGNTOWMPKVJTUBJ-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.96
Rot. Bonds6

About 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol

2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol (PubChem CID 757598) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol
PubChem CID757598
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO/c17-15-7-6-14(10-16(15)18)12-19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2
InChIKeyGNTOWMPKVJTUBJ-UHFFFAOYSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol (CID 757598) is 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol?
The InChIKey is GNTOWMPKVJTUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-15-7-6-14(10-16(15)18)12-19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2.
What are the key properties of 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol?
2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol has a molecular weight of 277.31 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 757598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).