1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

C16H19NOS — CID 79985787

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H19NOS/c1-3-11-7-9-19-16(11)15(17-2)13-4-5-14-12(10-13)6-8-18-14/h4-5,7,9-10,15,17H,3,6,8H2,1-2H3
InChIKeySWENVDLAMDGSDK-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 79985787) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID79985787
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H19NOS/c1-3-11-7-9-19-16(11)15(17-2)13-4-5-14-12(10-13)6-8-18-14/h4-5,7,9-10,15,17H,3,6,8H2,1-2H3
InChIKeySWENVDLAMDGSDK-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985465
5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79975052
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105302894
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
7-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 79974749
N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine
CID 61330790
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
1-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 105180098
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105180100
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methyl]ethanamine
CID 80643911
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991296
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 61331355

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (CID 79985787) is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is CCc1ccsc1C(NC)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is SWENVDLAMDGSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-11-7-9-19-16(11)15(17-2)13-4-5-14-12(10-13)6-8-18-14/h4-5,7,9-10,15,17H,3,6,8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79985787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).