[1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine

C15H20F3NO — CID 62724312

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C15H20F3NO/c16-15(17,18)11-20-9-8-14(10-19)7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6H,3,5,7-11,19H2
InChIKeyCADQTENZLLELAI-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.19
Rot. Bonds5

About [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine

[1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine (PubChem CID 62724312) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
PubChem CID62724312
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C15H20F3NO/c16-15(17,18)11-20-9-8-14(10-19)7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6H,3,5,7-11,19H2
InChIKeyCADQTENZLLELAI-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine (CID 62724312) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine is NCC1(CCOCC(F)(F)F)CCCc2ccccc21.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The InChIKey is CADQTENZLLELAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)11-20-9-8-14(10-19)7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6H,3,5,7-11,19H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine is sourced from PubChem (CID 62724312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).