1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol

C18H22FNO2 — CID 175088879

IUPAC1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol
SMILESCC(O)OCC(F)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22FNO2/c1-14(21)22-13-17(19)12-20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-18,20-21H,12-13H2,1H3
InChIKeyRAJFSBDUVUGEMB-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.06
Rot. Bonds8

About 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol

1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol (PubChem CID 175088879) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol.

Molecular Properties

Compound Name1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol
PubChem CID175088879
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol
SMILESCC(O)OCC(F)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22FNO2/c1-14(21)22-13-17(19)12-20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-18,20-21H,12-13H2,1H3
InChIKeyRAJFSBDUVUGEMB-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol?
The IUPAC name of 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol (CID 175088879) is 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol.
What is the SMILES notation for 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol?
The canonical SMILES for 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol is CC(O)OCC(F)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol?
The InChIKey is RAJFSBDUVUGEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-14(21)22-13-17(19)12-20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-18,20-21H,12-13H2,1H3.
What are the key properties of 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol?
1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol has a molecular weight of 303.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzhydrylamino)-2-fluoropropoxy]ethanol is sourced from PubChem (CID 175088879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).