2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine

C9H15NOS — CID 65305403

IUPAC2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine
SMILESCc1ccsc1CCOCCN
InChIInChI=1S/C9H15NOS/c1-8-3-7-12-9(8)2-5-11-6-4-10/h3,7H,2,4-6,10H2,1H3
InChIKeyIHZRLULSTDDZEV-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.57
Rot. Bonds5

About 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine

2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine (PubChem CID 65305403) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine
PubChem CID65305403
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine
SMILESCc1ccsc1CCOCCN
InChIInChI=1S/C9H15NOS/c1-8-3-7-12-9(8)2-5-11-6-4-10/h3,7H,2,4-6,10H2,1H3
InChIKeyIHZRLULSTDDZEV-UHFFFAOYSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895
2-(3-methylthiophen-2-yl)oxyethanamine
CID 67617021
N'-methyl-N'-[2-(3-methylthiophen-2-yl)ethyl]butane-1,4-diamine
CID 115201578
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
2-(3-bromopropyl)-3-methylthiophene
CID 19688419
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
triethoxy-[3-(3-methylthiophen-2-yl)propyl]silane
CID 139649676
2-hexyl-3-methylthiophene
CID 69043695
2-(bromomethyl)-3-methylthiophene
CID 18463526
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155462

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine (CID 65305403) is 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine is Cc1ccsc1CCOCCN.
What is the InChIKey of 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine?
The InChIKey is IHZRLULSTDDZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8-3-7-12-9(8)2-5-11-6-4-10/h3,7H,2,4-6,10H2,1H3.
What are the key properties of 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine?
2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine has a molecular weight of 185.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine is sourced from PubChem (CID 65305403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).