2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine

C16H13ClFNO — CID 114728213

IUPAC2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
SMILESNC(Cc1ccccc1Cl)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13ClFNO/c17-13-4-2-1-3-10(13)8-14(19)16-9-11-7-12(18)5-6-15(11)20-16/h1-7,9,14H,8,19H2
InChIKeyKKSIIMVIRZRXOM-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.47
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine

2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine (PubChem CID 114728213) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
PubChem CID114728213
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
SMILESNC(Cc1ccccc1Cl)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13ClFNO/c17-13-4-2-1-3-10(13)8-14(19)16-9-11-7-12(18)5-6-15(11)20-16/h1-7,9,14H,8,19H2
InChIKeyKKSIIMVIRZRXOM-UHFFFAOYSA-N
XLogP4.47
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-fluorophenyl)ethanol
CID 114726361
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 82773222
1-(5-bromofuran-2-yl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622582
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 114728507
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 102622579

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine (CID 114728213) is 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine is NC(Cc1ccccc1Cl)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine?
The InChIKey is KKSIIMVIRZRXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-13-4-2-1-3-10(13)8-14(19)16-9-11-7-12(18)5-6-15(11)20-16/h1-7,9,14H,8,19H2.
What are the key properties of 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine?
2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine has a molecular weight of 289.74 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 114728213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).