1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine

C19H18FN3 — CID 18751628

IUPAC1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
SMILESCc1cc(N(C)/C(N)=N/c2cccc3ccccc23)ccc1F
InChIInChI=1S/C19H18FN3/c1-13-12-15(10-11-17(13)20)23(2)19(21)22-18-9-5-7-14-6-3-4-8-16(14)18/h3-12H,1-2H3,(H2,21,22)
InChIKeyJCCCKCRAXPQMJN-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.37
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine

1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine (PubChem CID 18751628) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
PubChem CID18751628
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
SMILESCc1cc(N(C)/C(N)=N/c2cccc3ccccc23)ccc1F
InChIInChI=1S/C19H18FN3/c1-13-12-15(10-11-17(13)20)23(2)19(21)22-18-9-5-7-14-6-3-4-8-16(14)18/h3-12H,1-2H3,(H2,21,22)
InChIKeyJCCCKCRAXPQMJN-UHFFFAOYSA-N
XLogP4.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
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-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine (CID 18751628) is 1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine is Cc1cc(N(C)/C(N)=N/c2cccc3ccccc23)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
The InChIKey is JCCCKCRAXPQMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-13-12-15(10-11-17(13)20)23(2)19(21)22-18-9-5-7-14-6-3-4-8-16(14)18/h3-12H,1-2H3,(H2,21,22).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine has a molecular weight of 307.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine is sourced from PubChem (CID 18751628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).