2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine

C15H23BrN2O — CID 107875654

IUPAC2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
SMILESCC1CN(c2ccc(C(C)(C)C)cn2)CC(CBr)O1
InChIInChI=1S/C15H23BrN2O/c1-11-9-18(10-13(7-16)19-11)14-6-5-12(8-17-14)15(2,3)4/h5-6,8,11,13H,7,9-10H2,1-4H3
InChIKeyQWNOAVODIRSRQG-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.37
Rot. Bonds2

About 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine

2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine (PubChem CID 107875654) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
PubChem CID107875654
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
SMILESCC1CN(c2ccc(C(C)(C)C)cn2)CC(CBr)O1
InChIInChI=1S/C15H23BrN2O/c1-11-9-18(10-13(7-16)19-11)14-6-5-12(8-17-14)15(2,3)4/h5-6,8,11,13H,7,9-10H2,1-4H3
InChIKeyQWNOAVODIRSRQG-UHFFFAOYSA-N
XLogP3.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 102937271
2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
CID 102937213
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine
CID 107875644
(3aS,6aR)-5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042499
5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107875138
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
CID 102937224
2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine
CID 102937159
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine (CID 107875654) is 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine is CC1CN(c2ccc(C(C)(C)C)cn2)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine?
The InChIKey is QWNOAVODIRSRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11-9-18(10-13(7-16)19-11)14-6-5-12(8-17-14)15(2,3)4/h5-6,8,11,13H,7,9-10H2,1-4H3.
What are the key properties of 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine?
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine has a molecular weight of 327.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine is sourced from PubChem (CID 107875654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).