2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine

C12H11F2NO — CID 63948382

IUPAC2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1ccco1
InChIInChI=1S/C12H11F2NO/c13-9-4-8(5-10(14)7-9)6-11(15)12-2-1-3-16-12/h1-5,7,11H,6,15H2
InChIKeyYTURBAGYHWWOEN-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.80
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine

2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine (PubChem CID 63948382) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine
PubChem CID63948382
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1ccco1
InChIInChI=1S/C12H11F2NO/c13-9-4-8(5-10(14)7-9)6-11(15)12-2-1-3-16-12/h1-5,7,11H,6,15H2
InChIKeyYTURBAGYHWWOEN-UHFFFAOYSA-N
XLogP2.80
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine
CID 62716295
2-(4-ethoxyphenyl)-1-(furan-2-yl)ethanamine
CID 22299339
2-amino-2-(furan-2-yl)ethanol
CID 54048773
2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 63016663
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
CID 65189521
2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine
CID 54959804
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034
(4S)-4-amino-4-(furan-2-yl)butan-1-ol
CID 131230101
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanamine
CID 62716130
1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine
CID 123767101
1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine
CID 105412511

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine (CID 63948382) is 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine is NC(Cc1cc(F)cc(F)c1)c1ccco1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine?
The InChIKey is YTURBAGYHWWOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-9-4-8(5-10(14)7-9)6-11(15)12-2-1-3-16-12/h1-5,7,11H,6,15H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine?
2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine has a molecular weight of 223.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 63948382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).