3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine

C18H22F3NO2 — CID 19073293

IUPAC3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)NCC(COc1cccc2ccccc12)OCC(F)(F)F
InChIInChI=1S/C18H22F3NO2/c1-13(2)22-10-15(24-12-18(19,20)21)11-23-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,22H,10-12H2,1-2H3
InChIKeyKIPNQIOKQROFGM-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.16
Rot. Bonds8

About 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine

3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 19073293) has the molecular formula C18H22F3NO2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID19073293
Molecular FormulaC18H22F3NO2
Molecular Weight341.37 g/mol
Exact Mass341.16
IUPAC Name3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)NCC(COc1cccc2ccccc12)OCC(F)(F)F
InChIInChI=1S/C18H22F3NO2/c1-13(2)22-10-15(24-12-18(19,20)21)11-23-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,22H,10-12H2,1-2H3
InChIKeyKIPNQIOKQROFGM-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine (CID 19073293) is 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine is CC(C)NCC(COc1cccc2ccccc12)OCC(F)(F)F.
What is the InChIKey of 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is KIPNQIOKQROFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO2/c1-13(2)22-10-15(24-12-18(19,20)21)11-23-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,22H,10-12H2,1-2H3.
What are the key properties of 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine?
3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 341.37 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxy-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 19073293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).