2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine

C9H15NOS — CID 112545617

IUPAC2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine
SMILESCNCCc1sc(C)cc1OC
InChIInChI=1S/C9H15NOS/c1-7-6-8(11-3)9(12-7)4-5-10-2/h6,10H,4-5H2,1-3H3
InChIKeyXMRKNOWPQOCHIP-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.83
Rot. Bonds4

About 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine

2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine (PubChem CID 112545617) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine
PubChem CID112545617
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine
SMILESCNCCc1sc(C)cc1OC
InChIInChI=1S/C9H15NOS/c1-7-6-8(11-3)9(12-7)4-5-10-2/h6,10H,4-5H2,1-3H3
InChIKeyXMRKNOWPQOCHIP-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 117299082
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine
CID 65305729
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117194582
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
2-(5,8-dimethoxy-3-methylquinolin-2-yl)-N-methylethanamine
CID 82245936
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene
CID 101242675
2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117465308

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine (CID 112545617) is 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine is CNCCc1sc(C)cc1OC.
What is the InChIKey of 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine?
The InChIKey is XMRKNOWPQOCHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7-6-8(11-3)9(12-7)4-5-10-2/h6,10H,4-5H2,1-3H3.
What are the key properties of 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine?
2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine has a molecular weight of 185.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 112545617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).