N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide

C16H26N4O2 — CID 124536276

IUPACN'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
SMILESCOc1ccccc1[C@H](C/N=C(\N)N1CCOCC1)N(C)C
InChIInChI=1S/C16H26N4O2/c1-19(2)14(13-6-4-5-7-15(13)21-3)12-18-16(17)20-8-10-22-11-9-20/h4-7,14H,8-12H2,1-3H3,(H2,17,18)/t14-/m0/s1
InChIKeyPMRWEPKARQZBAK-AWEZNQCLSA-N
MW306.41 g/mol
LogP0.94
Rot. Bonds5

About N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide

N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide (PubChem CID 124536276) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
PubChem CID124536276
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
SMILESCOc1ccccc1[C@H](C/N=C(\N)N1CCOCC1)N(C)C
InChIInChI=1S/C16H26N4O2/c1-19(2)14(13-6-4-5-7-15(13)21-3)12-18-16(17)20-8-10-22-11-9-20/h4-7,14H,8-12H2,1-3H3,(H2,17,18)/t14-/m0/s1
InChIKeyPMRWEPKARQZBAK-AWEZNQCLSA-N
XLogP0.94
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.94
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-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111028952
N'-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111101726
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
CID 111029314
N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111811204
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111078968
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 111037502
N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021664
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]guanidine
CID 111028912
N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110928149

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide (CID 124536276) is N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide is COc1ccccc1[C@H](C/N=C(\N)N1CCOCC1)N(C)C.
What is the InChIKey of N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide?
The InChIKey is PMRWEPKARQZBAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19(2)14(13-6-4-5-7-15(13)21-3)12-18-16(17)20-8-10-22-11-9-20/h4-7,14H,8-12H2,1-3H3,(H2,17,18)/t14-/m0/s1.
What are the key properties of N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide?
N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide has a molecular weight of 306.41 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 124536276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).