2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine

C16H17ClN4O — CID 87880605

IUPAC2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(OCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O/c17-14-10-13(11-20-21-16(18)19)6-7-15(14)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H4,18,19,21)/b20-11+
InChIKeyLJMJAHTWTFBGEW-RGVLZGJSSA-N
MW316.79 g/mol
LogP2.57
Rot. Bonds6

About 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine

2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine (PubChem CID 87880605) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine
PubChem CID87880605
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(OCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O/c17-14-10-13(11-20-21-16(18)19)6-7-15(14)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H4,18,19,21)/b20-11+
InChIKeyLJMJAHTWTFBGEW-RGVLZGJSSA-N
XLogP2.57
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
[2-chloro-4-[(diaminomethylidenehydrazinylidene)methyl]phenyl] trifluoromethanesulfonate
CID 168591800
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
2-[(Z)-(3-bromo-4-nonoxyphenyl)methylideneamino]guanidine
CID 110533498
2-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110338402
(5Z)-5-[[3-chloro-4-(2-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836464
2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590615
2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 121456701
2-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 112538748
2-[(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 168590622
benzyl N'-[[4-(2-phenylethoxy)phenyl]methylideneamino]carbamimidothioate
CID 168612342

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine (CID 87880605) is 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine is NC(N)=N/N=C/c1ccc(OCCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine?
The InChIKey is LJMJAHTWTFBGEW-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-14-10-13(11-20-21-16(18)19)6-7-15(14)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H4,18,19,21)/b20-11+.
What are the key properties of 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine?
2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine has a molecular weight of 316.79 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 87880605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).