2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine

C13H20F3NO2 — CID 66275969

IUPAC2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(OCc1cc(CNC(C)(C)C)co1)C(F)(F)F
InChIInChI=1S/C13H20F3NO2/c1-9(13(14,15)16)18-8-11-5-10(7-19-11)6-17-12(2,3)4/h5,7,9,17H,6,8H2,1-4H3
InChIKeyBDXLFQBSNJDAAY-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.64
Rot. Bonds5

About 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 66275969) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID66275969
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(OCc1cc(CNC(C)(C)C)co1)C(F)(F)F
InChIInChI=1S/C13H20F3NO2/c1-9(13(14,15)16)18-8-11-5-10(7-19-11)6-17-12(2,3)4/h5,7,9,17H,6,8H2,1-4H3
InChIKeyBDXLFQBSNJDAAY-UHFFFAOYSA-N
XLogP3.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine (CID 66275969) is 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine is CC(OCc1cc(CNC(C)(C)C)co1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is BDXLFQBSNJDAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c1-9(13(14,15)16)18-8-11-5-10(7-19-11)6-17-12(2,3)4/h5,7,9,17H,6,8H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 279.30 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66275969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).