2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine

Name: 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₉BrN₂O — CID 81210742

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

IUPAC2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine

SMILESCC1COC(CBr)CN1Cc1ccc2ncccc2c1

InChIInChI=1S/C16H19BrN2O/c1-12-11-20-15(8-17)10-19(12)9-13-4-5-16-14(7-13)3-2-6-18-16/h2-7,12,15H,8-11H2,1H3

InChIKeyJUUAUKWMUCTESR-UHFFFAOYSA-N

MW335.25 g/mol

LogP3.22

Rot. Bonds3

About 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine

2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine (PubChem CID 81210742) has the molecular formula C₁₆H₁₉BrN₂O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine.

Molecular Properties

Compound Name	2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine
PubChem CID	81210742
Molecular Formula	C₁₆H₁₉BrN₂O
Molecular Weight	335.25 g/mol
Exact Mass	334.07
IUPAC Name	2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine
SMILES	CC1COC(CBr)CN1Cc1ccc2ncccc2c1
InChI	InChI=1S/C16H19BrN2O/c1-12-11-20-15(8-17)10-19(12)9-13-4-5-16-14(7-13)3-2-6-18-16/h2-7,12,15H,8-11H2,1H3
InChIKey	JUUAUKWMUCTESR-UHFFFAOYSA-N
XLogP	3.22
TPSA	25.36 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.25
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine?

The IUPAC name of 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine (CID 81210742) is 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine.

What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine?

The canonical SMILES for 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine is CC1COC(CBr)CN1Cc1ccc2ncccc2c1.

What is the InChIKey of 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine?

The InChIKey is JUUAUKWMUCTESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12-11-20-15(8-17)10-19(12)9-13-4-5-16-14(7-13)3-2-6-18-16/h2-7,12,15H,8-11H2,1H3.

What are the key properties of 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine?

2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine has a molecular weight of 335.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine is sourced from PubChem (CID 81210742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 81210742 — identifiers, structure, computed properties (public domain)

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