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

C15H24N4O — CID 111815028

IUPACN'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide
SMILESCc1cc(N(C)C)ccc1C/N=C(\N)N1CCOCC1
InChIInChI=1S/C15H24N4O/c1-12-10-14(18(2)3)5-4-13(12)11-17-15(16)19-6-8-20-9-7-19/h4-5,10H,6-9,11H2,1-3H3,(H2,16,17)
InChIKeyFMHQVYWRUMTELF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.21
Rot. Bonds3

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

N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide (PubChem CID 111815028) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide
PubChem CID111815028
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide
SMILESCc1cc(N(C)C)ccc1C/N=C(\N)N1CCOCC1
InChIInChI=1S/C15H24N4O/c1-12-10-14(18(2)3)5-4-13(12)11-17-15(16)19-6-8-20-9-7-19/h4-5,10H,6-9,11H2,1-3H3,(H2,16,17)
InChIKeyFMHQVYWRUMTELF-UHFFFAOYSA-N
XLogP1.21
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[[2-(dimethylamino)-4-methylphenyl]methyl]morpholine-4-carboximidamide
CID 111975223
2-[[4-(dimethylamino)-2-methylphenyl]methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111790405
N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
CID 111805322
N'-[(2,4-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111051638
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
1-butan-2-yl-2-[[4-(dimethylamino)-2-methylphenyl]methyl]guanidine
CID 111414913
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119934022
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111797133
N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077954
N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 86781929

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide (CID 111815028) is N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide is Cc1cc(N(C)C)ccc1C/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide?
The InChIKey is FMHQVYWRUMTELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-10-14(18(2)3)5-4-13(12)11-17-15(16)19-6-8-20-9-7-19/h4-5,10H,6-9,11H2,1-3H3,(H2,16,17).
What are the key properties of N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide?
N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111815028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).