2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine

C12H19NO2S — CID 62572494

IUPAC2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCOCC2CCCO2)c1
InChIInChI=1S/C12H19NO2S/c1-3-11(15-6-1)10-14-7-5-13-9-12-4-2-8-16-12/h2,4,8,11,13H,1,3,5-7,9-10H2
InChIKeyYENNKDBWXJEZMU-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.03
Rot. Bonds7

About 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine

2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62572494) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62572494
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCOCC2CCCO2)c1
InChIInChI=1S/C12H19NO2S/c1-3-11(15-6-1)10-14-7-5-13-9-12-4-2-8-16-12/h2,4,8,11,13H,1,3,5-7,9-10H2
InChIKeyYENNKDBWXJEZMU-UHFFFAOYSA-N
XLogP2.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95770393
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111783436
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54849898
1-(2-methoxyethyl)-3-[2-(oxolan-2-ylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 75423689
N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine
CID 55088440
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 97079648
N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79883823
N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 115629596
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111407533
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine (CID 62572494) is 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine is c1csc(CNCCOCC2CCCO2)c1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is YENNKDBWXJEZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-11(15-6-1)10-14-7-5-13-9-12-4-2-8-16-12/h2,4,8,11,13H,1,3,5-7,9-10H2.
What are the key properties of 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine?
2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 241.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62572494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).