2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide

C14H20ClN3O3 — CID 169367962

IUPAC2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide
SMILESCOc1cc(N2CCOCC2)c(OC)cc1/N=C(/N)CCl
InChIInChI=1S/C14H20ClN3O3/c1-19-12-8-11(18-3-5-21-6-4-18)13(20-2)7-10(12)17-14(16)9-15/h7-8H,3-6,9H2,1-2H3,(H2,16,17)
InChIKeyIOPXULPPPSMFMG-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.77
Rot. Bonds5

About 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide

2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide (PubChem CID 169367962) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide
PubChem CID169367962
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide
SMILESCOc1cc(N2CCOCC2)c(OC)cc1/N=C(/N)CCl
InChIInChI=1S/C14H20ClN3O3/c1-19-12-8-11(18-3-5-21-6-4-18)13(20-2)7-10(12)17-14(16)9-15/h7-8H,3-6,9H2,1-2H3,(H2,16,17)
InChIKeyIOPXULPPPSMFMG-UHFFFAOYSA-N
XLogP1.77
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine
CID 168605799
(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877800
4-[(1-amino-2-chloroethylidene)amino]-3-methoxybenzoic acid
CID 169365205
2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide
CID 169367595
(3-methoxy-4-morpholin-4-ylphenyl)boronic acid
CID 91825783
4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine
CID 167231314
2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide
CID 169368516
2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
CID 169369479
(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877805
ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
CID 170885779
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
CID 54251602
bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 139664478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide (CID 169367962) is 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide is COc1cc(N2CCOCC2)c(OC)cc1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide?
The InChIKey is IOPXULPPPSMFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-19-12-8-11(18-3-5-21-6-4-18)13(20-2)7-10(12)17-14(16)9-15/h7-8H,3-6,9H2,1-2H3,(H2,16,17).
What are the key properties of 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide?
2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide has a molecular weight of 313.79 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide is sourced from PubChem (CID 169367962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).