3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine

C13H16F3NO — CID 43752930

IUPAC3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine
SMILESNCC(OC1CCCc2ccccc21)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(8-17)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11-12H,3,5,7-8,17H2
InChIKeyNRWQVPVTHXCAHO-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.97
Rot. Bonds3

About 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine

3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine (PubChem CID 43752930) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine
PubChem CID43752930
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine
SMILESNCC(OC1CCCc2ccccc21)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(8-17)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11-12H,3,5,7-8,17H2
InChIKeyNRWQVPVTHXCAHO-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11521796

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine (CID 43752930) is 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine is NCC(OC1CCCc2ccccc21)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine?
The InChIKey is NRWQVPVTHXCAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12(8-17)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11-12H,3,5,7-8,17H2.
What are the key properties of 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine?
3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-amine is sourced from PubChem (CID 43752930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).