(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine

C15H17F2NO — CID 81403834

IUPAC(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(F)c(C(C)N[C@H](C)c2ccco2)cc1F
InChIInChI=1S/C15H17F2NO/c1-9-7-14(17)12(8-13(9)16)10(2)18-11(3)15-5-4-6-19-15/h4-8,10-11,18H,1-3H3/t10?,11-/m1/s1
InChIKeyMXPBAHPNBTXGSG-RRKGBCIJSA-N
MW265.30 g/mol
LogP4.28
Rot. Bonds4

About (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine

(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 81403834) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID81403834
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(F)c(C(C)N[C@H](C)c2ccco2)cc1F
InChIInChI=1S/C15H17F2NO/c1-9-7-14(17)12(8-13(9)16)10(2)18-11(3)15-5-4-6-19-15/h4-8,10-11,18H,1-3H3/t10?,11-/m1/s1
InChIKeyMXPBAHPNBTXGSG-RRKGBCIJSA-N
XLogP4.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81399961
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586
1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403303
1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43776788
1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302337
4-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81403637
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81402863
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 102869882
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine (CID 81403834) is (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine is Cc1cc(F)c(C(C)N[C@H](C)c2ccco2)cc1F.
What is the InChIKey of (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is MXPBAHPNBTXGSG-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-9-7-14(17)12(8-13(9)16)10(2)18-11(3)15-5-4-6-19-15/h4-8,10-11,18H,1-3H3/t10?,11-/m1/s1.
What are the key properties of (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine?
(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 265.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81403834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).