(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine

C16H16N2S — CID 103136203

IUPAC(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine
SMILESCCc1ccsc1C(N)c1cccc2ccncc12
InChIInChI=1S/C16H16N2S/c1-2-11-7-9-19-16(11)15(17)13-5-3-4-12-6-8-18-10-14(12)13/h3-10,15H,2,17H2,1H3
InChIKeyJDLPNBGJLOQXHH-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.91
Rot. Bonds3

About (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine

(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine (PubChem CID 103136203) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine
PubChem CID103136203
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine
SMILESCCc1ccsc1C(N)c1cccc2ccncc12
InChIInChI=1S/C16H16N2S/c1-2-11-7-9-19-16(11)15(17)13-5-3-4-12-6-8-18-10-14(12)13/h3-10,15H,2,17H2,1H3
InChIKeyJDLPNBGJLOQXHH-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine
CID 103136207
(3-ethylthiophen-2-yl)-isoquinolin-4-ylmethanamine
CID 115856155
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine
CID 103138051
[(3-ethylthiophen-2-yl)-naphthalen-1-ylmethyl]hydrazine
CID 105301201
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135968
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine?
The IUPAC name of (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine (CID 103136203) is (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine.
What is the SMILES notation for (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine?
The canonical SMILES for (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine is CCc1ccsc1C(N)c1cccc2ccncc12.
What is the InChIKey of (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine?
The InChIKey is JDLPNBGJLOQXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-11-7-9-19-16(11)15(17)13-5-3-4-12-6-8-18-10-14(12)13/h3-10,15H,2,17H2,1H3.
What are the key properties of (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine?
(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine is sourced from PubChem (CID 103136203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).