2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine

C17H21F2NO — CID 105412346

IUPAC2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C17H21F2NO/c1-5-20-16(17-10(2)11(3)21-12(17)4)8-13-6-14(18)9-15(19)7-13/h6-7,9,16,20H,5,8H2,1-4H3
InChIKeyJRCMHYFMJWXFOC-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.38
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine

2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 105412346) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID105412346
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C17H21F2NO/c1-5-20-16(17-10(2)11(3)21-12(17)4)8-13-6-14(18)9-15(19)7-13/h6-7,9,16,20H,5,8H2,1-4H3
InChIKeyJRCMHYFMJWXFOC-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152804
2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152951
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974
N-ethyl-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153346
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105015627
1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412461
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115822095
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842305
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406857
2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153051
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 105412346) is 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine is CCNC(Cc1cc(F)cc(F)c1)c1c(C)oc(C)c1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is JRCMHYFMJWXFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO/c1-5-20-16(17-10(2)11(3)21-12(17)4)8-13-6-14(18)9-15(19)7-13/h6-7,9,16,20H,5,8H2,1-4H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 293.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 105412346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).