N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

C19H24IN3O3 — CID 111808539

IUPACN'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1ccccc1Oc1ccc(C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C19H23N3O3.HI/c1-23-17-4-2-3-5-18(17)25-16-8-6-15(7-9-16)14-21-19(20)22-10-12-24-13-11-22;/h2-9H,10-14H2,1H3,(H2,20,21);1H
InChIKeyBTIPXOGRZUFXBM-UHFFFAOYSA-N
MW469.32 g/mol
LogP3.25
Rot. Bonds5

About N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111808539) has the molecular formula C19H24IN3O3 and a molecular weight of 469.32 g/mol. Its IUPAC name is N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111808539
Molecular FormulaC19H24IN3O3
Molecular Weight469.32 g/mol
Exact Mass469.09
IUPAC NameN'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1ccccc1Oc1ccc(C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C19H23N3O3.HI/c1-23-17-4-2-3-5-18(17)25-16-8-6-15(7-9-16)14-21-19(20)22-10-12-24-13-11-22;/h2-9H,10-14H2,1H3,(H2,20,21);1H
InChIKeyBTIPXOGRZUFXBM-UHFFFAOYSA-N
XLogP3.25
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.32
LogP ≤ 53.25
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]morpholine-4-carboximidamide;hydroiodide
CID 75534630
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111063808
methyl 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]benzoate
CID 111024014
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077
N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111049500
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[(2-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111073092
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111078968
1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
CID 111808570

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 111808539) is N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is COc1ccccc1Oc1ccc(C/N=C(\N)N2CCOCC2)cc1.I.
What is the InChIKey of N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is BTIPXOGRZUFXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.HI/c1-23-17-4-2-3-5-18(17)25-16-8-6-15(7-9-16)14-21-19(20)22-10-12-24-13-11-22;/h2-9H,10-14H2,1H3,(H2,20,21);1H.
What are the key properties of N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 469.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111808539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).