1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine

C19H18FN3 — CID 18751798

IUPAC1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
SMILESCCc1cccc(N/C(N)=N/c2cccc3ccc(F)cc23)c1
InChIInChI=1S/C19H18FN3/c1-2-13-5-3-7-16(11-13)22-19(21)23-18-8-4-6-14-9-10-15(20)12-17(14)18/h3-12H,2H2,1H3,(H3,21,22,23)
InChIKeyOHVWRYUVZBSIEC-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.60
Rot. Bonds3

About 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine

1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine (PubChem CID 18751798) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
PubChem CID18751798
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
SMILESCCc1cccc(N/C(N)=N/c2cccc3ccc(F)cc23)c1
InChIInChI=1S/C19H18FN3/c1-2-13-5-3-7-16(11-13)22-19(21)23-18-8-4-6-14-9-10-15(20)12-17(14)18/h3-12H,2H2,1H3,(H3,21,22,23)
InChIKeyOHVWRYUVZBSIEC-UHFFFAOYSA-N
XLogP4.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.60
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 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine (CID 18751798) is 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine is CCc1cccc(N/C(N)=N/c2cccc3ccc(F)cc23)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine?
The InChIKey is OHVWRYUVZBSIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-2-13-5-3-7-16(11-13)22-19(21)23-18-8-4-6-14-9-10-15(20)12-17(14)18/h3-12H,2H2,1H3,(H3,21,22,23).
What are the key properties of 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine?
1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine has a molecular weight of 307.37 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine is sourced from PubChem (CID 18751798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).