N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine

C12H19NOS — CID 62089839

IUPACN-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NCCC1CCCO1)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-10(11-5-8-15-9-11)13-6-4-12-3-2-7-14-12/h5,8-10,12-13H,2-4,6-7H2,1H3
InChIKeyHQBFJAMXLBOGNH-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine

N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 62089839) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID62089839
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NCCC1CCCO1)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-10(11-5-8-15-9-11)13-6-4-12-3-2-7-14-12/h5,8-10,12-13H,2-4,6-7H2,1H3
InChIKeyHQBFJAMXLBOGNH-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 104988530
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
1-(5-ethylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61335920
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983538

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine (CID 62089839) is N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine is CC(NCCC1CCCO1)c1ccsc1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is HQBFJAMXLBOGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(11-5-8-15-9-11)13-6-4-12-3-2-7-14-12/h5,8-10,12-13H,2-4,6-7H2,1H3.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine?
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62089839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).