1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine

C24H21N3O — CID 118721794

IUPAC1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H21N3O/c1-27(19-11-8-14-21(17-19)28-20-12-3-2-4-13-20)24(25)26-23-16-7-10-18-9-5-6-15-22(18)23/h2-17H,1H3,(H2,25,26)
InChIKeyUDAHQGUMOGJPIS-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.71
Rot. Bonds4

About 1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine

1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine (PubChem CID 118721794) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine
PubChem CID118721794
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H21N3O/c1-27(19-11-8-14-21(17-19)28-20-12-3-2-4-13-20)24(25)26-23-16-7-10-18-9-5-6-15-22(18)23/h2-17H,1H3,(H2,25,26)
InChIKeyUDAHQGUMOGJPIS-UHFFFAOYSA-N
XLogP5.71
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.71
H-Bond Donors ≤ 51
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-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine (CID 118721794) is 1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine is CN(/C(N)=N/c1cccc2ccccc12)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine?
The InChIKey is UDAHQGUMOGJPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-27(19-11-8-14-21(17-19)28-20-12-3-2-4-13-20)24(25)26-23-16-7-10-18-9-5-6-15-22(18)23/h2-17H,1H3,(H2,25,26).
What are the key properties of 1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine?
1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine has a molecular weight of 367.45 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-naphthalen-1-yl-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 118721794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).