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

C19H24FNO2 — CID 138695483

IUPAC1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol
SMILESCC(O)OCC(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24FNO2/c1-16(22)23-15-19(20)14-21(12-17-8-4-2-5-9-17)13-18-10-6-3-7-11-18/h2-11,16,19,22H,12-15H2,1H3
InChIKeyMGMISSCLWCRLHX-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.38
Rot. Bonds9

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

1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol (PubChem CID 138695483) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol.

Molecular Properties

Compound Name1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol
PubChem CID138695483
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol
SMILESCC(O)OCC(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24FNO2/c1-16(22)23-15-19(20)14-21(12-17-8-4-2-5-9-17)13-18-10-6-3-7-11-18/h2-11,16,19,22H,12-15H2,1H3
InChIKeyMGMISSCLWCRLHX-UHFFFAOYSA-N
XLogP3.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
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-(dibenzylamino)-2-fluoropropoxy]ethanol?
The IUPAC name of 1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol (CID 138695483) is 1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol.
What is the SMILES notation for 1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol?
The canonical SMILES for 1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol is CC(O)OCC(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol?
The InChIKey is MGMISSCLWCRLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-16(22)23-15-19(20)14-21(12-17-8-4-2-5-9-17)13-18-10-6-3-7-11-18/h2-11,16,19,22H,12-15H2,1H3.
What are the key properties of 1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol?
1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol has a molecular weight of 317.40 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol is sourced from PubChem (CID 138695483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).