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

C12H18F3NO2 — CID 66275759

IUPACN-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COC(C)C(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-8(2)16-6-11-10(4-5-17-11)7-18-9(3)12(13,14)15/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyAYAWIILXQGDTDY-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.24
Rot. Bonds6

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

N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 66275759) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID66275759
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC NameN-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COC(C)C(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-8(2)16-6-11-10(4-5-17-11)7-18-9(3)12(13,14)15/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyAYAWIILXQGDTDY-UHFFFAOYSA-N
XLogP3.24
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66274882
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 81325773
N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 114676916
N-methyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62419285
N-[[3-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62454863
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 55076853
N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62426847
N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62485295
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604
1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine
CID 102723192
N-[[2-(prop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62442277

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine (CID 66275759) is N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1COC(C)C(F)(F)F.
What is the InChIKey of N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is AYAWIILXQGDTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-8(2)16-6-11-10(4-5-17-11)7-18-9(3)12(13,14)15/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 265.27 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66275759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).