N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H20F3NO3 — CID 103207960

IUPACN-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)c1ccc(COC)o1
InChIInChI=1S/C13H20F3NO3/c1-3-17-11(6-7-19-9-13(14,15)16)12-5-4-10(20-12)8-18-2/h4-5,11,17H,3,6-9H2,1-2H3
InChIKeyOSRCMEDCRDHHSJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.05
Rot. Bonds9

About N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103207960) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103207960
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC NameN-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)c1ccc(COC)o1
InChIInChI=1S/C13H20F3NO3/c1-3-17-11(6-7-19-9-13(14,15)16)12-5-4-10(20-12)8-18-2/h4-5,11,17H,3,6-9H2,1-2H3
InChIKeyOSRCMEDCRDHHSJ-UHFFFAOYSA-N
XLogP3.05
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207957
N-ethyl-1-(5-ethylfuran-2-yl)-4-methoxybutan-1-amine
CID 105054918
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148627
1-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103208006
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine
CID 114212769
N-ethyl-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 62346766
1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928465
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207286
5-(methoxymethyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 86918391
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103207960) is N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCNC(CCOCC(F)(F)F)c1ccc(COC)o1.
What is the InChIKey of N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is OSRCMEDCRDHHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c1-3-17-11(6-7-19-9-13(14,15)16)12-5-4-10(20-12)8-18-2/h4-5,11,17H,3,6-9H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 295.30 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(methoxymethyl)furan-2-yl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103207960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).