1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine

C18H16F3NO — CID 137424245

IUPAC1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine
SMILESCc1ccc2ccccc2c1C(N)Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C18H16F3NO/c1-11-6-7-12-4-2-3-5-14(12)17(11)15(22)10-13-8-9-16(23-13)18(19,20)21/h2-9,15H,10,22H2,1H3
InChIKeyYKIVQXJFDCWOLJ-UHFFFAOYSA-N
MW319.33 g/mol
LogP5.00
Rot. Bonds3

About 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine

1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine (PubChem CID 137424245) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine
PubChem CID137424245
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine
SMILESCc1ccc2ccccc2c1C(N)Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C18H16F3NO/c1-11-6-7-12-4-2-3-5-14(12)17(11)15(22)10-13-8-9-16(23-13)18(19,20)21/h2-9,15H,10,22H2,1H3
InChIKeyYKIVQXJFDCWOLJ-UHFFFAOYSA-N
XLogP5.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine?
The IUPAC name of 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine (CID 137424245) is 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine.
What is the SMILES notation for 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine?
The canonical SMILES for 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine is Cc1ccc2ccccc2c1C(N)Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine?
The InChIKey is YKIVQXJFDCWOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-11-6-7-12-4-2-3-5-14(12)17(11)15(22)10-13-8-9-16(23-13)18(19,20)21/h2-9,15H,10,22H2,1H3.
What are the key properties of 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine?
1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine has a molecular weight of 319.33 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnaphthalen-1-yl)-2-[5-(trifluoromethyl)furan-2-yl]ethanamine is sourced from PubChem (CID 137424245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).