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

C14H17NO2S — CID 114730013

IUPAC1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
SMILESCNC(c1cc2ccccc2o1)C1CSCCO1
InChIInChI=1S/C14H17NO2S/c1-15-14(13-9-18-7-6-16-13)12-8-10-4-2-3-5-11(10)17-12/h2-5,8,13-15H,6-7,9H2,1H3
InChIKeyLTVIPWLRVWQRKU-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.83
Rot. Bonds3

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

1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine (PubChem CID 114730013) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
PubChem CID114730013
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
SMILESCNC(c1cc2ccccc2o1)C1CSCCO1
InChIInChI=1S/C14H17NO2S/c1-15-14(13-9-18-7-6-16-13)12-8-10-4-2-3-5-11(10)17-12/h2-5,8,13-15H,6-7,9H2,1H3
InChIKeyLTVIPWLRVWQRKU-UHFFFAOYSA-N
XLogP2.83
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 114730026
N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
CID 81231155
[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine
CID 105337847
N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine
CID 79963028
3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine
CID 79962941
N-[1-benzofuran-2-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105044189
1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728720
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114729092
1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
CID 79963935
N-[1,4-oxathian-2-yl(quinolin-3-yl)methyl]ethanamine
CID 79963246
naphthalen-2-yl(1,4-oxathian-2-yl)methanol
CID 79963790
N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114729699

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine (CID 114730013) is 1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine is CNC(c1cc2ccccc2o1)C1CSCCO1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine?
The InChIKey is LTVIPWLRVWQRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-15-14(13-9-18-7-6-16-13)12-8-10-4-2-3-5-11(10)17-12/h2-5,8,13-15H,6-7,9H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine?
1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine has a molecular weight of 263.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine is sourced from PubChem (CID 114730013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).