N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide

C19H23N3O2 — CID 111047716

IUPACN'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cccc(OCc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C19H23N3O2/c20-19(22-9-11-23-12-10-22)21-14-17-7-4-8-18(13-17)24-15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H2,20,21)
InChIKeyLVRHCQYKNCQITC-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.41
Rot. Bonds5

About N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide

N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide (PubChem CID 111047716) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
PubChem CID111047716
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cccc(OCc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C19H23N3O2/c20-19(22-9-11-23-12-10-22)21-14-17-7-4-8-18(13-17)24-15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H2,20,21)
InChIKeyLVRHCQYKNCQITC-UHFFFAOYSA-N
XLogP2.41
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.41
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'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047747
N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111049500
N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 75467048
N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111047873
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[(2-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111073092
N'-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111099549
N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide
CID 120728055
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048101
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506

Frequently Asked Questions

What is the IUPAC name of N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide (CID 111047716) is N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide is N/C(=N\Cc1cccc(OCc2ccccc2)c1)N1CCOCC1.
What is the InChIKey of N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide?
The InChIKey is LVRHCQYKNCQITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-19(22-9-11-23-12-10-22)21-14-17-7-4-8-18(13-17)24-15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H2,20,21).
What are the key properties of N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide?
N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide has a molecular weight of 325.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111047716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).