N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine

C15H17F2NO — CID 103924689

IUPACN-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO/c1-10(9-12-5-4-8-19-12)18-11(2)13-6-3-7-14(16)15(13)17/h3-8,10-11,18H,9H2,1-2H3
InChIKeyVHWHWBSTROWERW-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.84
Rot. Bonds5

About N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine

N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 103924689) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
PubChem CID103924689
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC NameN-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO/c1-10(9-12-5-4-8-19-12)18-11(2)13-6-3-7-14(16)15(13)17/h3-8,10-11,18H,9H2,1-2H3
InChIKeyVHWHWBSTROWERW-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

2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43783176
[1-(2,3-difluorophenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331593
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929
N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115897219
1-cyclopropyl-N-[1-(2,3-difluorophenyl)ethyl]propan-2-amine
CID 103906225
2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol
CID 106186826
1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 62649885
1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 103906175

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine (CID 103924689) is N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NC(C)c1cccc(F)c1F.
What is the InChIKey of N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is VHWHWBSTROWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-10(9-12-5-4-8-19-12)18-11(2)13-6-3-7-14(16)15(13)17/h3-8,10-11,18H,9H2,1-2H3.
What are the key properties of N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine?
N-[1-(2,3-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-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 103924689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).