[4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine

C13H10ClNOS — CID 114732018

IUPAC[4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine
SMILESNCc1cc(-c2cc3cccc(Cl)c3o2)cs1
InChIInChI=1S/C13H10ClNOS/c14-11-3-1-2-8-5-12(16-13(8)11)9-4-10(6-15)17-7-9/h1-5,7H,6,15H2
InChIKeyBMEGVTLPSWTALF-UHFFFAOYSA-N
MW263.75 g/mol
LogP4.27
Rot. Bonds2

About [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine

[4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine (PubChem CID 114732018) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine
PubChem CID114732018
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name[4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine
SMILESNCc1cc(-c2cc3cccc(Cl)c3o2)cs1
InChIInChI=1S/C13H10ClNOS/c14-11-3-1-2-8-5-12(16-13(8)11)9-4-10(6-15)17-7-9/h1-5,7H,6,15H2
InChIKeyBMEGVTLPSWTALF-UHFFFAOYSA-N
XLogP4.27
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
CID 114732565
1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732026
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
CID 114732001
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736248
6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
CID 114256473
5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid
CID 114731756
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
CID 105371641
4-(7-chloro-1-benzofuran-2-yl)but-3-yn-1-amine
CID 114731607
1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine
CID 105497156
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430

Frequently Asked Questions

What is the IUPAC name of [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine?
The IUPAC name of [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine (CID 114732018) is [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine?
The canonical SMILES for [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine is NCc1cc(-c2cc3cccc(Cl)c3o2)cs1.
What is the InChIKey of [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine?
The InChIKey is BMEGVTLPSWTALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-11-3-1-2-8-5-12(16-13(8)11)9-4-10(6-15)17-7-9/h1-5,7H,6,15H2.
What are the key properties of [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine?
[4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine has a molecular weight of 263.75 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 114732018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).