2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine

C13H23BrN4O — CID 62394416

IUPAC2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CCOC(Cn2cc(CCBr)nn2)C1
InChIInChI=1S/C13H23BrN4O/c1-11(2)7-17-5-6-19-13(9-17)10-18-8-12(3-4-14)15-16-18/h8,11,13H,3-7,9-10H2,1-2H3
InChIKeyAUIDMOHFSPYXCX-UHFFFAOYSA-N
MW331.26 g/mol
LogP1.57
Rot. Bonds6

About 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine

2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine (PubChem CID 62394416) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine
PubChem CID62394416
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CCOC(Cn2cc(CCBr)nn2)C1
InChIInChI=1S/C13H23BrN4O/c1-11(2)7-17-5-6-19-13(9-17)10-18-8-12(3-4-14)15-16-18/h8,11,13H,3-7,9-10H2,1-2H3
InChIKeyAUIDMOHFSPYXCX-UHFFFAOYSA-N
XLogP1.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine with MolForge

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

Launch Full Analysis

Related Compounds

[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine
CID 79182053
N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192747
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
4-(2-bromoethyl)-1-(4-methylpentyl)triazole
CID 83167910
4-(2-bromoethyl)-1-(2-ethylbutyl)triazole
CID 82930539
4-(2-bromoethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazole
CID 66363059
2-[(3,5-dimethylpiperazin-1-yl)methyl]-4-(2-methylpropyl)morpholine
CID 63871997
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
4-(2-bromoethyl)-1-(cyclobutylmethyl)triazole
CID 65461455
2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 79183117
1-[1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-4-yl]ethanamine
CID 63595361

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine?
The IUPAC name of 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine (CID 62394416) is 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine?
The canonical SMILES for 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine is CC(C)CN1CCOC(Cn2cc(CCBr)nn2)C1.
What is the InChIKey of 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine?
The InChIKey is AUIDMOHFSPYXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-11(2)7-17-5-6-19-13(9-17)10-18-8-12(3-4-14)15-16-18/h8,11,13H,3-7,9-10H2,1-2H3.
What are the key properties of 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine?
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine has a molecular weight of 331.26 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 62394416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).