2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride

C13H14ClF2NO — CID 138991416

IUPAC2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride
SMILESCNC(Cc1ccc(F)cc1F)c1ccoc1.Cl
InChIInChI=1S/C13H13F2NO.ClH/c1-16-13(10-4-5-17-8-10)6-9-2-3-11(14)7-12(9)15;/h2-5,7-8,13,16H,6H2,1H3;1H
InChIKeyVUTAKBOHHLWDSX-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.48
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride

2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride (PubChem CID 138991416) has the molecular formula C13H14ClF2NO and a molecular weight of 273.71 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride
PubChem CID138991416
Molecular FormulaC13H14ClF2NO
Molecular Weight273.71 g/mol
Exact Mass273.07
IUPAC Name2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride
SMILESCNC(Cc1ccc(F)cc1F)c1ccoc1.Cl
InChIInChI=1S/C13H13F2NO.ClH/c1-16-13(10-4-5-17-8-10)6-9-2-3-11(14)7-12(9)15;/h2-5,7-8,13,16H,6H2,1H3;1H
InChIKeyVUTAKBOHHLWDSX-UHFFFAOYSA-N
XLogP3.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride (CID 138991416) is 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride is CNC(Cc1ccc(F)cc1F)c1ccoc1.Cl.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride?
The InChIKey is VUTAKBOHHLWDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO.ClH/c1-16-13(10-4-5-17-8-10)6-9-2-3-11(14)7-12(9)15;/h2-5,7-8,13,16H,6H2,1H3;1H.
What are the key properties of 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride?
2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride has a molecular weight of 273.71 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 138991416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).