N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide

C14H22IN3O3 — CID 75534630

IUPACN'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1cccc(C/N=C(\N)N2CCOCC2)c1OC.I
InChIInChI=1S/C14H21N3O3.HI/c1-18-12-5-3-4-11(13(12)19-2)10-16-14(15)17-6-8-20-9-7-17;/h3-5H,6-10H2,1-2H3,(H2,15,16);1H
InChIKeyRUSNFPRULJFDFM-UHFFFAOYSA-N
MW407.25 g/mol
LogP1.47
Rot. Bonds4

About N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 75534630) has the molecular formula C14H22IN3O3 and a molecular weight of 407.25 g/mol. Its IUPAC name is N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID75534630
Molecular FormulaC14H22IN3O3
Molecular Weight407.25 g/mol
Exact Mass407.07
IUPAC NameN'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1cccc(C/N=C(\N)N2CCOCC2)c1OC.I
InChIInChI=1S/C14H21N3O3.HI/c1-18-12-5-3-4-11(13(12)19-2)10-16-14(15)17-6-8-20-9-7-17;/h3-5H,6-10H2,1-2H3,(H2,15,16);1H
InChIKeyRUSNFPRULJFDFM-UHFFFAOYSA-N
XLogP1.47
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 51.47
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045848
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
CID 111805322
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[(2,3-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111045872
N'-[(2-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111073092
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935470
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374447
N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111078968

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 75534630) is N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide is COc1cccc(C/N=C(\N)N2CCOCC2)c1OC.I.
What is the InChIKey of N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is RUSNFPRULJFDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.HI/c1-18-12-5-3-4-11(13(12)19-2)10-16-14(15)17-6-8-20-9-7-17;/h3-5H,6-10H2,1-2H3,(H2,15,16);1H.
What are the key properties of N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 407.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 75534630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).