N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

C21H36N4O2 — CID 109480161

IUPACN-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCOC(CCN(C)C)CN/C(=N\C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C21H36N4O2/c1-6-26-18(11-12-24(4)5)15-23-21(22-3)25-13-14-27-20(16-25)19-10-8-7-9-17(19)2/h7-10,18,20H,6,11-16H2,1-5H3,(H,22,23)
InChIKeyCBMNYCPLMQATHI-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.30
Rot. Bonds8

About N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109480161) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109480161
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC NameN-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCOC(CCN(C)C)CN/C(=N\C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C21H36N4O2/c1-6-26-18(11-12-24(4)5)15-23-21(22-3)25-13-14-27-20(16-25)19-10-8-7-9-17(19)2/h7-10,18,20H,6,11-16H2,1-5H3,(H,22,23)
InChIKeyCBMNYCPLMQATHI-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-3,3-dimethylbutyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480491
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480348
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481277
N-[2-(2-butoxyethoxy)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480418
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480572
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481859
2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109480637

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109480161) is N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is CCOC(CCN(C)C)CN/C(=N\C)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is CBMNYCPLMQATHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-6-26-18(11-12-24(4)5)15-23-21(22-3)25-13-14-27-20(16-25)19-10-8-7-9-17(19)2/h7-10,18,20H,6,11-16H2,1-5H3,(H,22,23).
What are the key properties of N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 376.55 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-ethoxybutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109480161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).