2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine

C15H23N5O3 — CID 168592427

IUPAC2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine
SMILESCOc1cccc(C=NN=C(N)N)c1OCCN1CCOCC1
InChIInChI=1S/C15H23N5O3/c1-21-13-4-2-3-12(11-18-19-15(16)17)14(13)23-10-7-20-5-8-22-9-6-20/h2-4,11H,5-10H2,1H3,(H4,16,17,19)
InChIKeyQDVAYYHWZVBWJU-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.01
Rot. Bonds7

About 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine

2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine (PubChem CID 168592427) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine
PubChem CID168592427
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine
SMILESCOc1cccc(C=NN=C(N)N)c1OCCN1CCOCC1
InChIInChI=1S/C15H23N5O3/c1-21-13-4-2-3-12(11-18-19-15(16)17)14(13)23-10-7-20-5-8-22-9-6-20/h2-4,11H,5-10H2,1H3,(H4,16,17,19)
InChIKeyQDVAYYHWZVBWJU-UHFFFAOYSA-N
XLogP0.01
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea
CID 168535434
N-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383017
2-[(2-hexoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168590982
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508432
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592742
4-[2-(2,3-dimethoxy-6-propan-2-ylphenoxy)ethyl]morpholine
CID 20871911
2-methoxy-6-(2-morpholin-4-ylethyliminomethyl)phenol
CID 4072556
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592435
benzyl N'-[[2-[2-(1,3-dioxolan-2-yl)ethoxy]-3-methoxyphenyl]methylideneamino]carbamimidothioate
CID 168612866

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine (CID 168592427) is 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine is COc1cccc(C=NN=C(N)N)c1OCCN1CCOCC1.
What is the InChIKey of 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine?
The InChIKey is QDVAYYHWZVBWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-21-13-4-2-3-12(11-18-19-15(16)17)14(13)23-10-7-20-5-8-22-9-6-20/h2-4,11H,5-10H2,1H3,(H4,16,17,19).
What are the key properties of 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine?
2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine has a molecular weight of 321.38 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).