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

C12H18F3NO2 — CID 66274882

IUPACN-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(COC(C)C(F)(F)F)c1
InChIInChI=1S/C12H18F3NO2/c1-8(2)16-5-10-4-11(18-6-10)7-17-9(3)12(13,14)15/h4,6,8-9,16H,5,7H2,1-3H3
InChIKeyVGQDMCNLZNOTQB-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.24
Rot. Bonds6

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

N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 66274882) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID66274882
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC NameN-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(COC(C)C(F)(F)F)c1
InChIInChI=1S/C12H18F3NO2/c1-8(2)16-5-10-4-11(18-6-10)7-17-9(3)12(13,14)15/h4,6,8-9,16H,5,7H2,1-3H3
InChIKeyVGQDMCNLZNOTQB-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-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66275969
N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66227292
N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine
CID 79679317
N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275759
N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62454677
N-[[5-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 55077843
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 76943780
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481155
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351077

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine (CID 66274882) is N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine is CC(C)NCc1coc(COC(C)C(F)(F)F)c1.
What is the InChIKey of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is VGQDMCNLZNOTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-8(2)16-5-10-4-11(18-6-10)7-17-9(3)12(13,14)15/h4,6,8-9,16H,5,7H2,1-3H3.
What are the key properties of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine?
N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-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-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66274882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).