2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine

C16H17ClN4O2 — CID 168592710

IUPAC2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)N)cc1OCc1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c1-22-14-7-6-11(9-20-21-16(18)19)8-15(14)23-10-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H4,18,19,21)
InChIKeyICPNIXOQOJESQQ-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.53
Rot. Bonds6

About 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine

2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine (PubChem CID 168592710) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
PubChem CID168592710
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)N)cc1OCc1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c1-22-14-7-6-11(9-20-21-16(18)19)8-15(14)23-10-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H4,18,19,21)
InChIKeyICPNIXOQOJESQQ-UHFFFAOYSA-N
XLogP2.53
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110338402
2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 121456701
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748
2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110339029
2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590615
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
CID 168592322
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 23908591

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine (CID 168592710) is 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine is COc1ccc(C=NN=C(N)N)cc1OCc1ccccc1Cl.
What is the InChIKey of 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine?
The InChIKey is ICPNIXOQOJESQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-22-14-7-6-11(9-20-21-16(18)19)8-15(14)23-10-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H4,18,19,21).
What are the key properties of 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine?
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine has a molecular weight of 332.79 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).