2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol

C16H18FNO — CID 783283

IUPAC2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C16H18FNO/c17-16-9-5-4-8-15(16)13-18(10-11-19)12-14-6-2-1-3-7-14/h1-9,19H,10-13H2
InChIKeyRMUONOKGKZZHAC-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.82
Rot. Bonds6

About 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol

2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol (PubChem CID 783283) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol
PubChem CID783283
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C16H18FNO/c17-16-9-5-4-8-15(16)13-18(10-11-19)12-14-6-2-1-3-7-14/h1-9,19H,10-13H2
InChIKeyRMUONOKGKZZHAC-UHFFFAOYSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol (CID 783283) is 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1ccccc1F.
What is the InChIKey of 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol?
The InChIKey is RMUONOKGKZZHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-16-9-5-4-8-15(16)13-18(10-11-19)12-14-6-2-1-3-7-14/h1-9,19H,10-13H2.
What are the key properties of 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol?
2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol has a molecular weight of 259.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(2-fluorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 783283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).