2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine

C18H14F3N3O — CID 18751670

IUPAC2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine
SMILESN/C(=N\c1cccc2ccccc12)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)25-14-8-4-7-13(11-14)23-17(22)24-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H3,22,23,24)
InChIKeyFVLZFWRLRIFTIC-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.80
Rot. Bonds3

About 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine

2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine (PubChem CID 18751670) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine
PubChem CID18751670
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine
SMILESN/C(=N\c1cccc2ccccc12)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)25-14-8-4-7-13(11-14)23-17(22)24-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H3,22,23,24)
InChIKeyFVLZFWRLRIFTIC-UHFFFAOYSA-N
XLogP4.80
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.80
H-Bond Donors ≤ 52
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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Related Compounds

2-(2-bromo-5-ethylphenyl)-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 18751574
1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 18751970
1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
CID 18751798
2-[(4-cyanocyclohexyl)methyl]-1-[3-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 120727890
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 120580645
1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121814
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]-1-benzothiophene-2-carboxamide
CID 142794804
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine?
The IUPAC name of 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine (CID 18751670) is 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine.
What is the SMILES notation for 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine?
The canonical SMILES for 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine is N/C(=N\c1cccc2ccccc12)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine?
The InChIKey is FVLZFWRLRIFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)25-14-8-4-7-13(11-14)23-17(22)24-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H3,22,23,24).
What are the key properties of 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine?
2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine has a molecular weight of 345.32 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine is sourced from PubChem (CID 18751670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).