2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine

C19H29BrN4O — CID 111572629

IUPAC2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC1(c2cccc(Br)c2)CC1)NCC1CN(C)CCO1
InChIInChI=1S/C19H29BrN4O/c1-3-21-18(22-12-17-13-24(2)9-10-25-17)23-14-19(7-8-19)15-5-4-6-16(20)11-15/h4-6,11,17H,3,7-10,12-14H2,1-2H3,(H2,21,22,23)
InChIKeyDOCQMKODFOKOQY-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.37
Rot. Bonds6

About 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine

2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine (PubChem CID 111572629) has the molecular formula C19H29BrN4O and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
PubChem CID111572629
Molecular FormulaC19H29BrN4O
Molecular Weight409.37 g/mol
Exact Mass408.15
IUPAC Name2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC1(c2cccc(Br)c2)CC1)NCC1CN(C)CCO1
InChIInChI=1S/C19H29BrN4O/c1-3-21-18(22-12-17-13-24(2)9-10-25-17)23-14-19(7-8-19)15-5-4-6-16(20)11-15/h4-6,11,17H,3,7-10,12-14H2,1-2H3,(H2,21,22,23)
InChIKeyDOCQMKODFOKOQY-UHFFFAOYSA-N
XLogP2.37
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine 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

2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111572762
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111640512
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111572766
N-[2-[[N'-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111572637
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethylguanidine
CID 109393192
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 109393191
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111572402
1-ethyl-2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111638738
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111572708
N-[2-[[N'-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111572624
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111572863
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-ethyl-1,1-dimethylguanidine;hydroiodide
CID 111572858

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine (CID 111572629) is 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine is CCN/C(=N\CC1(c2cccc(Br)c2)CC1)NCC1CN(C)CCO1.
What is the InChIKey of 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
The InChIKey is DOCQMKODFOKOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN4O/c1-3-21-18(22-12-17-13-24(2)9-10-25-17)23-14-19(7-8-19)15-5-4-6-16(20)11-15/h4-6,11,17H,3,7-10,12-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine has a molecular weight of 409.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 111572629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).