N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine

C16H15ClFNOS — CID 105173343

IUPACN-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H15ClFNOS/c1-3-19-15(13-6-7-14(17)21-13)16-9(2)11-8-10(18)4-5-12(11)20-16/h4-8,15,19H,3H2,1-2H3
InChIKeyWTANQRZZNZAWCI-UHFFFAOYSA-N
MW323.82 g/mol
LogP5.29
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine

N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 105173343) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID105173343
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC NameN-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H15ClFNOS/c1-3-19-15(13-6-7-14(17)21-13)16-9(2)11-8-10(18)4-5-12(11)20-16/h4-8,15,19H,3H2,1-2H3
InChIKeyWTANQRZZNZAWCI-UHFFFAOYSA-N
XLogP5.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105046083
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163861
N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045996
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-yn-1-amine
CID 105077210
1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 105099607
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 43492027
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092272
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[(2-chloro-4,5-dimethylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 115483998
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine (CID 105173343) is N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)s1)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is WTANQRZZNZAWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-3-19-15(13-6-7-14(17)21-13)16-9(2)11-8-10(18)4-5-12(11)20-16/h4-8,15,19H,3H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 323.82 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 105173343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).