N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide

C15H22BrN3O2 — CID 120661576

IUPACN'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(C)Oc2ccccc2Br)CCO1
InChIInChI=1S/C15H22BrN3O2/c1-11(21-14-6-4-3-5-13(14)16)9-18-15(17)19-7-8-20-12(2)10-19/h3-6,11-12H,7-10H2,1-2H3,(H2,17,18)
InChIKeyYYPSVIOVZDFXJG-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.25
Rot. Bonds4

About N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide

N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661576) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661576
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC NameN'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(C)Oc2ccccc2Br)CCO1
InChIInChI=1S/C15H22BrN3O2/c1-11(21-14-6-4-3-5-13(14)16)9-18-15(17)19-7-8-20-12(2)10-19/h3-6,11-12H,7-10H2,1-2H3,(H2,17,18)
InChIKeyYYPSVIOVZDFXJG-UHFFFAOYSA-N
XLogP2.25
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide 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

N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661302
N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
CID 120661078
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661071
2-[2-(2-bromophenoxy)propyl]-1-butan-2-ylguanidine;hydroiodide
CID 111752789
N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661059
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide (CID 120661576) is N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CC(C)Oc2ccccc2Br)CCO1.
What is the InChIKey of N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is YYPSVIOVZDFXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-11(21-14-6-4-3-5-13(14)16)9-18-15(17)19-7-8-20-12(2)10-19/h3-6,11-12H,7-10H2,1-2H3,(H2,17,18).
What are the key properties of N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 356.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).