1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine

C14H15F2NO — CID 81399961

IUPAC1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-9(12-6-5-11(15)8-13(12)16)17-10(2)14-4-3-7-18-14/h3-10,17H,1-2H3/t9?,10-/m1/s1
InChIKeyYRUUJSLEYFDKNV-QVDQXJPCSA-N
MW251.28 g/mol
LogP3.97
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine

1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine (PubChem CID 81399961) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
PubChem CID81399961
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-9(12-6-5-11(15)8-13(12)16)17-10(2)14-4-3-7-18-14/h3-10,17H,1-2H3/t9?,10-/m1/s1
InChIKeyYRUUJSLEYFDKNV-QVDQXJPCSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81403834
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
2-[1-[1-(2,4-difluorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710599
4-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81403637
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81402863
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
1-(2,4-difluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 43680827
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403303

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine (CID 81399961) is 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine is CC(N[C@H](C)c1ccco1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
The InChIKey is YRUUJSLEYFDKNV-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-9(12-6-5-11(15)8-13(12)16)17-10(2)14-4-3-7-18-14/h3-10,17H,1-2H3/t9?,10-/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine has a molecular weight of 251.28 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81399961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).