N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide

C19H23N3O2 — CID 111805322

IUPACN'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
SMILESCc1ccccc1Oc1ccccc1C/N=C(\N)N1CCOCC1
InChIInChI=1S/C19H23N3O2/c1-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)14-21-19(20)22-10-12-23-13-11-22/h2-9H,10-14H2,1H3,(H2,20,21)
InChIKeyDNBOZOOBEMNVMG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.93
Rot. Bonds4

About N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide

N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide (PubChem CID 111805322) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
PubChem CID111805322
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
SMILESCc1ccccc1Oc1ccccc1C/N=C(\N)N1CCOCC1
InChIInChI=1S/C19H23N3O2/c1-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)14-21-19(20)22-10-12-23-13-11-22/h2-9H,10-14H2,1H3,(H2,20,21)
InChIKeyDNBOZOOBEMNVMG-UHFFFAOYSA-N
XLogP2.93
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111076297
N'-[(2-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111073092
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111084139
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084138
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide
CID 111815028
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide (CID 111805322) is N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide is Cc1ccccc1Oc1ccccc1C/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide?
The InChIKey is DNBOZOOBEMNVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)14-21-19(20)22-10-12-23-13-11-22/h2-9H,10-14H2,1H3,(H2,20,21).
What are the key properties of N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide?
N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide has a molecular weight of 325.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111805322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).