(2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine

C20H24FNO2 — CID 25188771

IUPAC(2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine
SMILESFCCCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C20H24FNO2/c21-12-6-10-16-7-4-5-11-18(16)24-20(17-8-2-1-3-9-17)19-15-22-13-14-23-19/h1-5,7-9,11,19-20,22H,6,10,12-15H2/t19-,20-/m0/s1
InChIKeyROTDEDNYANYXDF-PMACEKPBSA-N
MW329.42 g/mol
LogP3.70
Rot. Bonds7

About (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine

(2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine (PubChem CID 25188771) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine
PubChem CID25188771
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine
SMILESFCCCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C20H24FNO2/c21-12-6-10-16-7-4-5-11-18(16)24-20(17-8-2-1-3-9-17)19-15-22-13-14-23-19/h1-5,7-9,11,19-20,22H,6,10,12-15H2/t19-,20-/m0/s1
InChIKeyROTDEDNYANYXDF-PMACEKPBSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine (CID 25188771) is (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine is FCCCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine?
The InChIKey is ROTDEDNYANYXDF-PMACEKPBSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-12-6-10-16-7-4-5-11-18(16)24-20(17-8-2-1-3-9-17)19-15-22-13-14-23-19/h1-5,7-9,11,19-20,22H,6,10,12-15H2/t19-,20-/m0/s1.
What are the key properties of (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine?
(2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine has a molecular weight of 329.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-[2-(3-fluoropropyl)phenoxy]-phenylmethyl]morpholine is sourced from PubChem (CID 25188771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).