N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide

C19H23N3O2 — CID 21312379

IUPACN'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide
SMILESCOc1ccc(C(/N=C(\N)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-23-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)21-19(20)22-11-13-24-14-12-22/h2-10,18H,11-14H2,1H3,(H2,20,21)
InChIKeyOGERKETXDNMPJW-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.43
Rot. Bonds4

About N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide

N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide (PubChem CID 21312379) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide
PubChem CID21312379
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide
SMILESCOc1ccc(C(/N=C(\N)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-23-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)21-19(20)22-11-13-24-14-12-22/h2-10,18H,11-14H2,1H3,(H2,20,21)
InChIKeyOGERKETXDNMPJW-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
N'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
(4-methoxyphenyl) morpholine-4-carbodithioate
CID 23907737
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 111037502

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide (CID 21312379) is N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide is COc1ccc(C(/N=C(\N)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide?
The InChIKey is OGERKETXDNMPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-23-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)21-19(20)22-11-13-24-14-12-22/h2-10,18H,11-14H2,1H3,(H2,20,21).
What are the key properties of N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide?
N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide has a molecular weight of 325.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 21312379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).