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

C12H10F3NO — CID 14156165

IUPAC6-methoxy-5-(trifluoromethyl)naphthalen-1-amine
SMILESCOc1ccc2c(N)cccc2c1C(F)(F)F
InChIInChI=1S/C12H10F3NO/c1-17-10-6-5-7-8(3-2-4-9(7)16)11(10)12(13,14)15/h2-6H,16H2,1H3
InChIKeySHJQQNIVQLPMQZ-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.45
Rot. Bonds1

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

6-methoxy-5-(trifluoromethyl)naphthalen-1-amine (PubChem CID 14156165) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 6-methoxy-5-(trifluoromethyl)naphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-5-(trifluoromethyl)naphthalen-1-amine
PubChem CID14156165
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name6-methoxy-5-(trifluoromethyl)naphthalen-1-amine
SMILESCOc1ccc2c(N)cccc2c1C(F)(F)F
InChIInChI=1S/C12H10F3NO/c1-17-10-6-5-7-8(3-2-4-9(7)16)11(10)12(13,14)15/h2-6H,16H2,1H3
InChIKeySHJQQNIVQLPMQZ-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.45
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-5-(trifluoromethyl)naphthalen-1-amine?
The IUPAC name of 6-methoxy-5-(trifluoromethyl)naphthalen-1-amine (CID 14156165) is 6-methoxy-5-(trifluoromethyl)naphthalen-1-amine.
What is the SMILES notation for 6-methoxy-5-(trifluoromethyl)naphthalen-1-amine?
The canonical SMILES for 6-methoxy-5-(trifluoromethyl)naphthalen-1-amine is COc1ccc2c(N)cccc2c1C(F)(F)F.
What is the InChIKey of 6-methoxy-5-(trifluoromethyl)naphthalen-1-amine?
The InChIKey is SHJQQNIVQLPMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-17-10-6-5-7-8(3-2-4-9(7)16)11(10)12(13,14)15/h2-6H,16H2,1H3.
What are the key properties of 6-methoxy-5-(trifluoromethyl)naphthalen-1-amine?
6-methoxy-5-(trifluoromethyl)naphthalen-1-amine has a molecular weight of 241.21 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(trifluoromethyl)naphthalen-1-amine is sourced from PubChem (CID 14156165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).