(7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine

C14H17NO2S — CID 114730009

IUPAC(7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine
SMILESCc1cccc2cc(C(N)C3CSCCO3)oc12
InChIInChI=1S/C14H17NO2S/c1-9-3-2-4-10-7-11(17-14(9)10)13(15)12-8-18-6-5-16-12/h2-4,7,12-13H,5-6,8,15H2,1H3
InChIKeyFUGWYMUDHDDHJH-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.87
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine

(7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine (PubChem CID 114730009) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine
PubChem CID114730009
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine
SMILESCc1cccc2cc(C(N)C3CSCCO3)oc12
InChIInChI=1S/C14H17NO2S/c1-9-3-2-4-10-7-11(17-14(9)10)13(15)12-8-18-6-5-16-12/h2-4,7,12-13H,5-6,8,15H2,1H3
InChIKeyFUGWYMUDHDDHJH-UHFFFAOYSA-N
XLogP2.87
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine (CID 114730009) is (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine is Cc1cccc2cc(C(N)C3CSCCO3)oc12.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine?
The InChIKey is FUGWYMUDHDDHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9-3-2-4-10-7-11(17-14(9)10)13(15)12-8-18-6-5-16-12/h2-4,7,12-13H,5-6,8,15H2,1H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine?
(7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine has a molecular weight of 263.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine is sourced from PubChem (CID 114730009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).