N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine

C15H17F2NO — CID 43693054

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c1-10(8-13-4-3-7-19-13)18-11(2)14-9-12(16)5-6-15(14)17/h3-7,9-11,18H,8H2,1-2H3
InChIKeyBILKURJMCSDRBJ-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.84
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine

N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 43693054) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
PubChem CID43693054
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c1-10(8-13-4-3-7-19-13)18-11(2)14-9-12(16)5-6-15(14)17/h3-7,9-11,18H,8H2,1-2H3
InChIKeyBILKURJMCSDRBJ-UHFFFAOYSA-N
XLogP3.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43783176
N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43110371
N-[1-(2,5-difluorophenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115639051
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine (CID 43693054) is N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is BILKURJMCSDRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-10(8-13-4-3-7-19-13)18-11(2)14-9-12(16)5-6-15(14)17/h3-7,9-11,18H,8H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 43693054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).