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

C19H16F3N3 — CID 18752006

IUPAC1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3/c1-25(15-9-5-8-14(12-15)19(20,21)22)18(23)24-17-11-4-7-13-6-2-3-10-16(13)17/h2-12H,1H3,(H2,23,24)
InChIKeyJORSWMGATUBEQI-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.94
Rot. Bonds2

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

1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine (PubChem CID 18752006) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine
PubChem CID18752006
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3/c1-25(15-9-5-8-14(12-15)19(20,21)22)18(23)24-17-11-4-7-13-6-2-3-10-16(13)17/h2-12H,1H3,(H2,23,24)
InChIKeyJORSWMGATUBEQI-UHFFFAOYSA-N
XLogP4.94
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.94
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-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine (CID 18752006) is 1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine is CN(/C(N)=N/c1cccc2ccccc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine?
The InChIKey is JORSWMGATUBEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c1-25(15-9-5-8-14(12-15)19(20,21)22)18(23)24-17-11-4-7-13-6-2-3-10-16(13)17/h2-12H,1H3,(H2,23,24).
What are the key properties of 1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine?
1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine has a molecular weight of 343.35 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 18752006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).