2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine

C17H14ClFN2O — CID 21157768

IUPAC2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine
SMILESNC(Cc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccncc1
InChIInChI=1S/C17H14ClFN2O/c18-14-9-12(1-3-15(14)19)17-4-2-13(22-17)10-16(20)11-5-7-21-8-6-11/h1-9,16H,10,20H2
InChIKeyRVASLNGJAUFSSX-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.38
Rot. Bonds4

About 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine

2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine (PubChem CID 21157768) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine
PubChem CID21157768
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine
SMILESNC(Cc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccncc1
InChIInChI=1S/C17H14ClFN2O/c18-14-9-12(1-3-15(14)19)17-4-2-13(22-17)10-16(20)11-5-7-21-8-6-11/h1-9,16H,10,20H2
InChIKeyRVASLNGJAUFSSX-UHFFFAOYSA-N
XLogP4.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]propanoic acid
CID 155486740
1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
CID 170889125
1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine
CID 89478220
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17333094
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425278
2-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine
CID 89478221
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425272
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine
CID 6498246
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine?
The IUPAC name of 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine (CID 21157768) is 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine?
The canonical SMILES for 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine is NC(Cc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccncc1.
What is the InChIKey of 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine?
The InChIKey is RVASLNGJAUFSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c18-14-9-12(1-3-15(14)19)17-4-2-13(22-17)10-16(20)11-5-7-21-8-6-11/h1-9,16H,10,20H2.
What are the key properties of 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine?
2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine has a molecular weight of 316.76 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 21157768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).