N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine

C17H18N2S — CID 105147369

IUPACN-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cncc2ccccc12
InChIInChI=1S/C17H18N2S/c1-2-19-17(9-13-7-8-20-12-13)16-11-18-10-14-5-3-4-6-15(14)16/h3-8,10-12,17,19H,2,9H2,1H3
InChIKeyOBGFJZBEOZSNHF-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.19
Rot. Bonds5

About N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine

N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine (PubChem CID 105147369) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
PubChem CID105147369
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cncc2ccccc12
InChIInChI=1S/C17H18N2S/c1-2-19-17(9-13-7-8-20-12-13)16-11-18-10-14-5-3-4-6-15(14)16/h3-8,10-12,17,19H,2,9H2,1H3
InChIKeyOBGFJZBEOZSNHF-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-4-yl-2-thiophen-3-ylethanol
CID 104504569
N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine
CID 105137590
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
N-ethyl-1-isoquinolin-4-ylbut-3-en-1-amine
CID 116660847
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-3-ylethanamine
CID 103126767
N-ethyl-1-(thiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137529
1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine
CID 63939404
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
CID 102812215
N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
CID 63939788

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine (CID 105147369) is N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1cncc2ccccc12.
What is the InChIKey of N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine?
The InChIKey is OBGFJZBEOZSNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-2-19-17(9-13-7-8-20-12-13)16-11-18-10-14-5-3-4-6-15(14)16/h3-8,10-12,17,19H,2,9H2,1H3.
What are the key properties of N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine?
N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105147369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).