1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine

C17H15ClFNO — CID 115761517

IUPAC1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(Cl)ccc1F)c1cc2ccccc2o1
InChIInChI=1S/C17H15ClFNO/c1-11(17-9-12-4-2-3-5-16(12)21-17)20-10-13-8-14(18)6-7-15(13)19/h2-9,11,20H,10H2,1H3
InChIKeyIQGHXXCKAHQMBS-UHFFFAOYSA-N
MW303.76 g/mol
LogP5.08
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine (PubChem CID 115761517) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
PubChem CID115761517
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(Cl)ccc1F)c1cc2ccccc2o1
InChIInChI=1S/C17H15ClFNO/c1-11(17-9-12-4-2-3-5-16(12)21-17)20-10-13-8-14(18)6-7-15(13)19/h2-9,11,20H,10H2,1H3
InChIKeyIQGHXXCKAHQMBS-UHFFFAOYSA-N
XLogP5.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.76
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-[(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114750476
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide
CID 9189725
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
CID 112801490
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
CID 97232707
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine (CID 115761517) is 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine is CC(NCc1cc(Cl)ccc1F)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
The InChIKey is IQGHXXCKAHQMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-11(17-9-12-4-2-3-5-16(12)21-17)20-10-13-8-14(18)6-7-15(13)19/h2-9,11,20H,10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine has a molecular weight of 303.76 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115761517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).