1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine

C13H20ClNOS — CID 103983947

IUPAC1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNOS/c1-10(12-5-6-13(14)17-12)15-8-7-11-4-2-3-9-16-11/h5-6,10-11,15H,2-4,7-9H2,1H3
InChIKeyGFFOKKXADBWFMI-UHFFFAOYSA-N
MW273.83 g/mol
LogP4.01
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine (PubChem CID 103983947) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
PubChem CID103983947
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNOS/c1-10(12-5-6-13(14)17-12)15-8-7-11-4-2-3-9-16-11/h5-6,10-11,15H,2-4,7-9H2,1H3
InChIKeyGFFOKKXADBWFMI-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61335920
2-[3-chloro-3-(5-chlorothiophen-2-yl)propyl]oxane
CID 63950981
1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 104579371
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 51938197
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983659
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983538
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine (CID 103983947) is 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine is CC(NCCC1CCCCO1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The InChIKey is GFFOKKXADBWFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-10(12-5-6-13(14)17-12)15-8-7-11-4-2-3-9-16-11/h5-6,10-11,15H,2-4,7-9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine has a molecular weight of 273.83 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 103983947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).