2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine

C15H20BrN3O — CID 81209909

IUPAC2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine
SMILESCC1COC(CBr)CN1Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H20BrN3O/c1-11-10-20-12(7-16)8-19(11)9-14-13-5-3-4-6-15(13)18(2)17-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBXIKWDQLDZOSCD-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.56
Rot. Bonds3

About 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine

2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine (PubChem CID 81209909) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine
PubChem CID81209909
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine
SMILESCC1COC(CBr)CN1Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H20BrN3O/c1-11-10-20-12(7-16)8-19(11)9-14-13-5-3-4-6-15(13)18(2)17-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBXIKWDQLDZOSCD-UHFFFAOYSA-N
XLogP2.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine (CID 81209909) is 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine is CC1COC(CBr)CN1Cc1nn(C)c2ccccc12.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine?
The InChIKey is BXIKWDQLDZOSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-11-10-20-12(7-16)8-19(11)9-14-13-5-3-4-6-15(13)18(2)17-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine?
2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine has a molecular weight of 338.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine is sourced from PubChem (CID 81209909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).