2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine

C12H15NOS — CID 117194582

IUPAC2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNCCc1cc2c(OC)cccc2s1
InChIInChI=1S/C12H15NOS/c1-13-7-6-9-8-10-11(14-2)4-3-5-12(10)15-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyCUXQGEMXSDDKGL-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine

2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 117194582) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID117194582
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNCCc1cc2c(OC)cccc2s1
InChIInChI=1S/C12H15NOS/c1-13-7-6-9-8-10-11(14-2)4-3-5-12(10)15-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyCUXQGEMXSDDKGL-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine
CID 144547592
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
1,3-bis(5-methoxy-2-oxothiochromen-3-yl)propane-1,3-dione
CID 67008930
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
2-(2-methoxy-6-propan-2-yloxyphenyl)-N-methylethanamine
CID 117320466
2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine
CID 105458924
2-(4-methoxy-1-benzothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167716622
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-N-methylethanamine
CID 117330502
4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline
CID 46947165
2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine
CID 112545617
(8-methoxythioxanthen-1-ylidene)-methyloxidanium
CID 86085148

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine (CID 117194582) is 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine is CNCCc1cc2c(OC)cccc2s1.
What is the InChIKey of 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is CUXQGEMXSDDKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-13-7-6-9-8-10-11(14-2)4-3-5-12(10)15-9/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine?
2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 221.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 117194582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).