N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine

C16H17NOS — CID 55012940

IUPACN-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H17NOS/c1-11-5-6-15-12(8-11)9-16(18-15)14(17-2)10-13-4-3-7-19-13/h3-9,14,17H,10H2,1-2H3
InChIKeySRUYQDRBYFOMAM-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.31
Rot. Bonds4

About N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine

N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 55012940) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
PubChem CID55012940
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H17NOS/c1-11-5-6-15-12(8-11)9-16(18-15)14(17-2)10-13-4-3-7-19-13/h3-9,14,17H,10H2,1-2H3
InChIKeySRUYQDRBYFOMAM-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211760
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114728325
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105185849
N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
CID 105045111
2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 115984884
1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643022
[2-(3-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105299502
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177921
N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
CID 115374448
[1-(5-methyl-1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214131
1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 114728319

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine (CID 55012940) is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine is CNC(Cc1cccs1)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is SRUYQDRBYFOMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-5-6-15-12(8-11)9-16(18-15)14(17-2)10-13-4-3-7-19-13/h3-9,14,17H,10H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 55012940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).