1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine

C15H17N5O — CID 168604045

IUPAC1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine
SMILESCc1cccc(/N=C(\N)N=C(N)N)c1Oc1ccccc1
InChIInChI=1S/C15H17N5O/c1-10-6-5-9-12(19-15(18)20-14(16)17)13(10)21-11-7-3-2-4-8-11/h2-9H,1H3,(H6,16,17,18,19,20)
InChIKeyCKPXFPIFFCUYPX-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.01
Rot. Bonds3

About 1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine

1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine (PubChem CID 168604045) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine
PubChem CID168604045
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine
SMILESCc1cccc(/N=C(\N)N=C(N)N)c1Oc1ccccc1
InChIInChI=1S/C15H17N5O/c1-10-6-5-9-12(19-15(18)20-14(16)17)13(10)21-11-7-3-2-4-8-11/h2-9H,1H3,(H6,16,17,18,19,20)
InChIKeyCKPXFPIFFCUYPX-UHFFFAOYSA-N
XLogP2.01
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.01
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-(3-methyl-2-phenoxyphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine (CID 168604045) is 1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine is Cc1cccc(/N=C(\N)N=C(N)N)c1Oc1ccccc1.
What is the InChIKey of 1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine?
The InChIKey is CKPXFPIFFCUYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-6-5-9-12(19-15(18)20-14(16)17)13(10)21-11-7-3-2-4-8-11/h2-9H,1H3,(H6,16,17,18,19,20).
What are the key properties of 1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine?
1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine has a molecular weight of 283.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine is sourced from PubChem (CID 168604045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).