2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine

C13H20F3NO2 — CID 55073348

IUPAC2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1COCC(F)(F)F
InChIInChI=1S/C13H20F3NO2/c1-9-10(7-18-8-13(14,15)16)5-11(19-9)6-17-12(2,3)4/h5,17H,6-8H2,1-4H3
InChIKeyVEKVXUYQJDZDCT-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.56
Rot. Bonds5

About 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 55073348) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID55073348
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1COCC(F)(F)F
InChIInChI=1S/C13H20F3NO2/c1-9-10(7-18-8-13(14,15)16)5-11(19-9)6-17-12(2,3)4/h5,17H,6-8H2,1-4H3
InChIKeyVEKVXUYQJDZDCT-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

Furfurylamphetamine
CID 18116
(2Z)-N-(furan-2-ylmethyl)-3,7-dimethylocta-2,6-dien-1-amine
CID 1760682
(2-Furylmethyl)(1-methyl-3-phenylpropyl)amine
CID 3156796
(1-Allyl-cyclohexyl)-furan-2-ylmethyl-amine
CID 601150
(1,5-Dimethyl-hex-4-enyl)-furan-2-ylmethyl-amine
CID 2867450
N-(tert-butyl)-N-(2-furylmethyl)amine
CID 4722608
(2-Methoxyethyl)[(5-methylfuran-2-yl)methyl]amine
CID 4777616
Methyl 2-methyl-5-[(methylamino)methyl]furan-3-carboxylate hydrochloride
CID 16285960
[(5-Methylfuran-2-yl)methyl](4-methylpentyl)amine
CID 60743879
trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429823
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 3944388
2-Furanmethanaminium, 4-(ethoxycarbonyl)-N,N,N,5-tetramethyl-, iodide
CID 21144570

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine (CID 55073348) is 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine is Cc1oc(CNC(C)(C)C)cc1COCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is VEKVXUYQJDZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c1-9-10(7-18-8-13(14,15)16)5-11(19-9)6-17-12(2,3)4/h5,17H,6-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 279.30 g/mol, XLogP of 3.56, 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-methyl-4-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).