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

C13H20F3NO2 — CID 66275553

IUPAC2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(COC(C)C(F)(F)F)o1
InChIInChI=1S/C13H20F3NO2/c1-9(2)6-17-7-11-4-5-12(19-11)8-18-10(3)13(14,15)16/h4-5,9-10,17H,6-8H2,1-3H3
InChIKeyKYQCPMMFBGRORF-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.49
Rot. Bonds7

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

2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 66275553) 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-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID66275553
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(COC(C)C(F)(F)F)o1
InChIInChI=1S/C13H20F3NO2/c1-9(2)6-17-7-11-4-5-12(19-11)8-18-10(3)13(14,15)16/h4-5,9-10,17H,6-8H2,1-3H3
InChIKeyKYQCPMMFBGRORF-UHFFFAOYSA-N
XLogP3.49
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine
CID 66274886
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275770
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073203
5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid
CID 66275403
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 65200963
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496490
2-methyl-N-[[5-[(2-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62443568
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 79114107
2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 62441173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine (CID 66275553) is 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine is CC(C)CNCc1ccc(COC(C)C(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is KYQCPMMFBGRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c1-9(2)6-17-7-11-4-5-12(19-11)8-18-10(3)13(14,15)16/h4-5,9-10,17H,6-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 279.30 g/mol, XLogP of 3.49, 7 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-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66275553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).