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

C19H24FNO2 — CID 155251297

IUPAC(1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol
SMILESC[C@H](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/t16-,19?/m1/s1
InChIKeyMGMISSCLWCRLHX-VTBWFHPJSA-N
MW317.40 g/mol
LogP3.38
Rot. Bonds9

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

(1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol (PubChem CID 155251297) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is (1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol
PubChem CID155251297
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name(1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol
SMILESC[C@H](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/t16-,19?/m1/s1
InChIKeyMGMISSCLWCRLHX-VTBWFHPJSA-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 (1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol?
The IUPAC name of (1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol (CID 155251297) is (1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol.
What is the SMILES notation for (1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol?
The canonical SMILES for (1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol is C[C@H](O)OCC(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol?
The InChIKey is MGMISSCLWCRLHX-VTBWFHPJSA-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/t16-,19?/m1/s1.
What are the key properties of (1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol?
(1R)-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 (1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol is sourced from PubChem (CID 155251297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).