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

C15H13ClFNOS — CID 105046083

IUPACN-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClFNOS/c1-2-18-15(13-5-6-14(16)20-13)12-8-9-7-10(17)3-4-11(9)19-12/h3-8,15,18H,2H2,1H3
InChIKeyJWPUPNUFQAVNLV-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.99
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 105046083) has the molecular formula C15H13ClFNOS and a molecular weight of 309.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID105046083
Molecular FormulaC15H13ClFNOS
Molecular Weight309.79 g/mol
Exact Mass309.04
IUPAC NameN-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClFNOS/c1-2-18-15(13-5-6-14(16)20-13)12-8-9-7-10(17)3-4-11(9)19-12/h3-8,15,18H,2H2,1H3
InChIKeyJWPUPNUFQAVNLV-UHFFFAOYSA-N
XLogP4.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.99
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]propan-1-amine
CID 105045996
N-[(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114728748
N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105173343
N-[(5-fluoro-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105046113
N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 114727898
N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 114730477
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 43492027
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 43497043
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 114728407

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine (CID 105046083) is N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine is CCNC(c1cc2cc(F)ccc2o1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is JWPUPNUFQAVNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNOS/c1-2-18-15(13-5-6-14(16)20-13)12-8-9-7-10(17)3-4-11(9)19-12/h3-8,15,18H,2H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 309.79 g/mol, XLogP of 4.99, 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-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 105046083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).