6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine

C13H12F3NO — CID 15614969

IUPAC6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine
SMILESCOc1ccc2c(C)c(N)ccc2c1C(F)(F)F
InChIInChI=1S/C13H12F3NO/c1-7-8-4-6-11(18-2)12(13(14,15)16)9(8)3-5-10(7)17/h3-6H,17H2,1-2H3
InChIKeyJUQZCBOIVIMDOV-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.76
Rot. Bonds1

About 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine

6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine (PubChem CID 15614969) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine
PubChem CID15614969
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine
SMILESCOc1ccc2c(C)c(N)ccc2c1C(F)(F)F
InChIInChI=1S/C13H12F3NO/c1-7-8-4-6-11(18-2)12(13(14,15)16)9(8)3-5-10(7)17/h3-6H,17H2,1-2H3
InChIKeyJUQZCBOIVIMDOV-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine?
The IUPAC name of 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine (CID 15614969) is 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine.
What is the SMILES notation for 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine?
The canonical SMILES for 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine is COc1ccc2c(C)c(N)ccc2c1C(F)(F)F.
What is the InChIKey of 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine?
The InChIKey is JUQZCBOIVIMDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-7-8-4-6-11(18-2)12(13(14,15)16)9(8)3-5-10(7)17/h3-6H,17H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine?
6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine has a molecular weight of 255.24 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-5-(trifluoromethyl)naphthalen-2-amine is sourced from PubChem (CID 15614969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).