2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine

C14H15F2NO — CID 105406972

IUPAC2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccoc1C
InChIInChI=1S/C14H15F2NO/c1-9-13(3-4-18-9)14(17-2)7-10-5-11(15)8-12(16)6-10/h3-6,8,14,17H,7H2,1-2H3
InChIKeyHFNCSXLIONWRLI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.37
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine

2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 105406972) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
PubChem CID105406972
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccoc1C
InChIInChI=1S/C14H15F2NO/c1-9-13(3-4-18-9)14(17-2)7-10-5-11(15)8-12(16)6-10/h3-6,8,14,17H,7H2,1-2H3
InChIKeyHFNCSXLIONWRLI-UHFFFAOYSA-N
XLogP3.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974
2-(3,5-difluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 105406977
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412712
2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
CID 113453302
1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 107103195
[2-(3,5-difluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105413007
1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406219
2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789911
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105015520
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine (CID 105406972) is 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine is CNC(Cc1cc(F)cc(F)c1)c1ccoc1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is HFNCSXLIONWRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-9-13(3-4-18-9)14(17-2)7-10-5-11(15)8-12(16)6-10/h3-6,8,14,17H,7H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine has a molecular weight of 251.28 g/mol, XLogP of 3.37, 4 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-methyl-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 105406972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).