2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine

C18H16ClN3 — CID 70653220

IUPAC2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine
SMILESNC(N)=NCc1cccc2c(-c3ccc(Cl)cc3)cccc12
InChIInChI=1S/C18H16ClN3/c19-14-9-7-12(8-10-14)15-4-2-5-16-13(11-22-18(20)21)3-1-6-17(15)16/h1-10H,11H2,(H4,20,21,22)
InChIKeyDZOMIOFMMNZOAZ-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.93
Rot. Bonds3

About 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine

2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine (PubChem CID 70653220) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine
PubChem CID70653220
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine
SMILESNC(N)=NCc1cccc2c(-c3ccc(Cl)cc3)cccc12
InChIInChI=1S/C18H16ClN3/c19-14-9-7-12(8-10-14)15-4-2-5-16-13(11-22-18(20)21)3-1-6-17(15)16/h1-10H,11H2,(H4,20,21,22)
InChIKeyDZOMIOFMMNZOAZ-UHFFFAOYSA-N
XLogP3.93
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine?
The IUPAC name of 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine (CID 70653220) is 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine?
The canonical SMILES for 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine is NC(N)=NCc1cccc2c(-c3ccc(Cl)cc3)cccc12.
What is the InChIKey of 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine?
The InChIKey is DZOMIOFMMNZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c19-14-9-7-12(8-10-14)15-4-2-5-16-13(11-22-18(20)21)3-1-6-17(15)16/h1-10H,11H2,(H4,20,21,22).
What are the key properties of 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine?
2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine has a molecular weight of 309.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)naphthalen-1-yl]methyl]guanidine is sourced from PubChem (CID 70653220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).