LYMLYRQEEYXWLT-UHFFFAOYSA-N

Name: LYMLYRQEEYXWLT-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₂FNO₃ — CID 11772273

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2-methoxyethanone

SMILESCOCC(=O)N1CCc2ccc(OCc3cccc(F)c3)cc2CC1

InChIInChI=1S/C20H22FNO3/c1-24-14-20(23)22-9-7-16-5-6-19(12-17(16)8-10-22)25-13-15-3-2-4-18(21)11-15/h2-6,11-12H,7-10,13-14H2,1H3

InChIKeyLYMLYRQEEYXWLT-UHFFFAOYSA-N

MW343.40 g/mol

LogP2.98

Rot. Bonds5

About LYMLYRQEEYXWLT-UHFFFAOYSA-N

LYMLYRQEEYXWLT-UHFFFAOYSA-N (PubChem CID 11772273) has the molecular formula C₂₀H₂₂FNO₃ and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2-methoxyethanone.

Molecular Properties

Compound Name	LYMLYRQEEYXWLT-UHFFFAOYSA-N
PubChem CID	11772273
Molecular Formula	C₂₀H₂₂FNO₃
Molecular Weight	343.40 g/mol
Exact Mass	343.16
IUPAC Name	1-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2-methoxyethanone
SMILES	COCC(=O)N1CCc2ccc(OCc3cccc(F)c3)cc2CC1
InChI	InChI=1S/C20H22FNO3/c1-24-14-20(23)22-9-7-16-5-6-19(12-17(16)8-10-22)25-13-15-3-2-4-18(21)11-15/h2-6,11-12H,7-10,13-14H2,1H3
InChIKey	LYMLYRQEEYXWLT-UHFFFAOYSA-N
XLogP	2.98
TPSA	38.77 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.40
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of LYMLYRQEEYXWLT-UHFFFAOYSA-N?

The IUPAC name of LYMLYRQEEYXWLT-UHFFFAOYSA-N (CID 11772273) is 1-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2-methoxyethanone.

What is the SMILES notation for LYMLYRQEEYXWLT-UHFFFAOYSA-N?

The canonical SMILES for LYMLYRQEEYXWLT-UHFFFAOYSA-N is COCC(=O)N1CCc2ccc(OCc3cccc(F)c3)cc2CC1.

What is the InChIKey of LYMLYRQEEYXWLT-UHFFFAOYSA-N?

The InChIKey is LYMLYRQEEYXWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-24-14-20(23)22-9-7-16-5-6-19(12-17(16)8-10-22)25-13-15-3-2-4-18(21)11-15/h2-6,11-12H,7-10,13-14H2,1H3.

What are the key properties of LYMLYRQEEYXWLT-UHFFFAOYSA-N?

LYMLYRQEEYXWLT-UHFFFAOYSA-N has a molecular weight of 343.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for LYMLYRQEEYXWLT-UHFFFAOYSA-N is sourced from PubChem (CID 11772273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 11772273 — identifiers, structure, computed properties (public domain)

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