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

C15H14ClNOS — CID 107360124

IUPACN-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)c1coc2ccccc12
InChIInChI=1S/C15H14ClNOS/c1-2-17-14(15-12(16)7-8-19-15)11-9-18-13-6-4-3-5-10(11)13/h3-9,14,17H,2H2,1H3
InChIKeyRVWILLKLFQLWGY-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.85
Rot. Bonds4

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

N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine (PubChem CID 107360124) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine
PubChem CID107360124
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)c1coc2ccccc12
InChIInChI=1S/C15H14ClNOS/c1-2-17-14(15-12(16)7-8-19-15)11-9-18-13-6-4-3-5-10(11)13/h3-9,14,17H,2H2,1H3
InChIKeyRVWILLKLFQLWGY-UHFFFAOYSA-N
XLogP4.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorothiophen-2-yl)-isoquinolin-1-ylmethyl]ethanamine
CID 107359738
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107515360
N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 80528896
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107947216
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
N-[(3-chlorothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 80529121
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 80529030
N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 80645048
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
N-[1-benzofuran-3-yl-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106654255

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine (CID 107360124) is N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine is CCNC(c1sccc1Cl)c1coc2ccccc12.
What is the InChIKey of N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine?
The InChIKey is RVWILLKLFQLWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-2-17-14(15-12(16)7-8-19-15)11-9-18-13-6-4-3-5-10(11)13/h3-9,14,17H,2H2,1H3.
What are the key properties of N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine?
N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107360124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).