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

C15H17F2NO — CID 115809781

IUPAC2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCc1oc(C)c(C(N)Cc2cc(F)ccc2F)c1C
InChIInChI=1S/C15H17F2NO/c1-8-9(2)19-10(3)15(8)14(18)7-11-6-12(16)4-5-13(11)17/h4-6,14H,7,18H2,1-3H3
InChIKeyIXPNXLWBTJBCGN-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.73
Rot. Bonds3

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

2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 115809781) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID115809781
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCc1oc(C)c(C(N)Cc2cc(F)ccc2F)c1C
InChIInChI=1S/C15H17F2NO/c1-8-9(2)19-10(3)15(8)14(18)7-11-6-12(16)4-5-13(11)17/h4-6,14H,7,18H2,1-3H3
InChIKeyIXPNXLWBTJBCGN-UHFFFAOYSA-N
XLogP3.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-difluorophenyl)-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

2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 114981981
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115810291
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
2-(2,5-difluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105105222
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557
2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803075
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842835

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 115809781) is 2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is Cc1oc(C)c(C(N)Cc2cc(F)ccc2F)c1C.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is IXPNXLWBTJBCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-8-9(2)19-10(3)15(8)14(18)7-11-6-12(16)4-5-13(11)17/h4-6,14H,7,18H2,1-3H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 265.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 115809781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).