(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine

C13H9Cl2NOS — CID 114082945

IUPAC(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine
SMILESNC(c1csc(Cl)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C13H9Cl2NOS/c14-9-1-2-10-7(3-9)4-11(17-10)13(16)8-5-12(15)18-6-8/h1-6,13H,16H2
InChIKeyBMNMFUSCCPWZAE-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.85
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine

(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine (PubChem CID 114082945) has the molecular formula C13H9Cl2NOS and a molecular weight of 298.19 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine
PubChem CID114082945
Molecular FormulaC13H9Cl2NOS
Molecular Weight298.19 g/mol
Exact Mass296.98
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine
SMILESNC(c1csc(Cl)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C13H9Cl2NOS/c14-9-1-2-10-7(3-9)4-11(17-10)13(16)8-5-12(15)18-6-8/h1-6,13H,16H2
InChIKeyBMNMFUSCCPWZAE-UHFFFAOYSA-N
XLogP4.85
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 114728319
(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
CID 43826510
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
CID 105185666
N-[(5-chloro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105045870
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105045726

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine (CID 114082945) is (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine is NC(c1csc(Cl)c1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine?
The InChIKey is BMNMFUSCCPWZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NOS/c14-9-1-2-10-7(3-9)4-11(17-10)13(16)8-5-12(15)18-6-8/h1-6,13H,16H2.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine?
(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine has a molecular weight of 298.19 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine is sourced from PubChem (CID 114082945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).