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

C14H12ClNOS — CID 105045316

IUPAC(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3sccc3Cl)cc2c1
InChIInChI=1S/C14H12ClNOS/c1-8-2-3-11-9(6-8)7-12(17-11)13(16)14-10(15)4-5-18-14/h2-7,13H,16H2,1H3
InChIKeyWLNMNQUMTWESPT-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.50
Rot. Bonds2

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

(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105045316) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105045316
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3sccc3Cl)cc2c1
InChIInChI=1S/C14H12ClNOS/c1-8-2-3-11-9(6-8)7-12(17-11)13(16)14-10(15)4-5-18-14/h2-7,13H,16H2,1H3
InChIKeyWLNMNQUMTWESPT-UHFFFAOYSA-N
XLogP4.50
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63993046
(3-chlorothiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045612
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105045730
[(3-ethylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338244
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 103407460
1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045167
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine (CID 105045316) is (3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine is Cc1ccc2oc(C(N)c3sccc3Cl)cc2c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is WLNMNQUMTWESPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c1-8-2-3-11-9(6-8)7-12(17-11)13(16)14-10(15)4-5-18-14/h2-7,13H,16H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 277.78 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105045316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).