1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine

C15H15Cl2N5O — CID 46175137

IUPAC1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2N5O/c16-10-2-1-9(13(17)7-10)8-23-12-5-3-11(4-6-12)21-15(20)22-14(18)19/h1-7H,8H2,(H6,18,19,20,21,22)
InChIKeyUUUPKNFZUUGHBI-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.79
Rot. Bonds4

About 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine

1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine (PubChem CID 46175137) has the molecular formula C15H15Cl2N5O and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine
PubChem CID46175137
Molecular FormulaC15H15Cl2N5O
Molecular Weight352.23 g/mol
Exact Mass351.07
IUPAC Name1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2N5O/c16-10-2-1-9(13(17)7-10)8-23-12-5-3-11(4-6-12)21-15(20)22-14(18)19/h1-7H,8H2,(H6,18,19,20,21,22)
InChIKeyUUUPKNFZUUGHBI-UHFFFAOYSA-N
XLogP2.79
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine (CID 46175137) is 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine?
The InChIKey is UUUPKNFZUUGHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O/c16-10-2-1-9(13(17)7-10)8-23-12-5-3-11(4-6-12)21-15(20)22-14(18)19/h1-7H,8H2,(H6,18,19,20,21,22).
What are the key properties of 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine?
1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine has a molecular weight of 352.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine is sourced from PubChem (CID 46175137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).