2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine

C14H16N2S — CID 167201726

IUPAC2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2c(cc(N)cc2-c2cccs2)C1
InChIInChI=1S/C14H16N2S/c1-16-5-4-12-10(9-16)7-11(15)8-13(12)14-3-2-6-17-14/h2-3,6-8H,4-5,9,15H2,1H3
InChIKeyVDJQTQCUWLWGGU-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.99
Rot. Bonds1

About 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine

2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 167201726) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID167201726
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2c(cc(N)cc2-c2cccs2)C1
InChIInChI=1S/C14H16N2S/c1-16-5-4-12-10(9-16)7-11(15)8-13(12)14-3-2-6-17-14/h2-3,6-8H,4-5,9,15H2,1H3
InChIKeyVDJQTQCUWLWGGU-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine (CID 167201726) is 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine is CN1CCc2c(cc(N)cc2-c2cccs2)C1.
What is the InChIKey of 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is VDJQTQCUWLWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-16-5-4-12-10(9-16)7-11(15)8-13(12)14-3-2-6-17-14/h2-3,6-8H,4-5,9,15H2,1H3.
What are the key properties of 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine?
2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 244.36 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 167201726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).