N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide

C19H22BrN3O — CID 4855271

IUPACN'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide
SMILESCc1ccc(N/C(=N/c2ccc(Br)cc2)N2CCOCC2)cc1C
InChIInChI=1S/C19H22BrN3O/c1-14-3-6-18(13-15(14)2)22-19(23-9-11-24-12-10-23)21-17-7-4-16(20)5-8-17/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyUPTXRAZTDIKWML-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.50
Rot. Bonds2

About N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide

N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide (PubChem CID 4855271) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide
PubChem CID4855271
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide
SMILESCc1ccc(N/C(=N/c2ccc(Br)cc2)N2CCOCC2)cc1C
InChIInChI=1S/C19H22BrN3O/c1-14-3-6-18(13-15(14)2)22-19(23-9-11-24-12-10-23)21-17-7-4-16(20)5-8-17/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyUPTXRAZTDIKWML-UHFFFAOYSA-N
XLogP4.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide (CID 4855271) is N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide is Cc1ccc(N/C(=N/c2ccc(Br)cc2)N2CCOCC2)cc1C.
What is the InChIKey of N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide?
The InChIKey is UPTXRAZTDIKWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-14-3-6-18(13-15(14)2)22-19(23-9-11-24-12-10-23)21-17-7-4-16(20)5-8-17/h3-8,13H,9-12H2,1-2H3,(H,21,22).
What are the key properties of N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide?
N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide has a molecular weight of 388.31 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 4855271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).