2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine

C15H18N2S — CID 63775160

IUPAC2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(CCc1cccs1)C2
InChIInChI=1S/C15H18N2S/c16-15-5-1-3-12-11-17(9-7-14(12)15)8-6-13-4-2-10-18-13/h1-5,10H,6-9,11,16H2
InChIKeyBNRSIJROSWFAGK-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.93
Rot. Bonds3

About 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 63775160) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID63775160
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(CCc1cccs1)C2
InChIInChI=1S/C15H18N2S/c16-15-5-1-3-12-11-17(9-7-14(12)15)8-6-13-4-2-10-18-13/h1-5,10H,6-9,11,16H2
InChIKeyBNRSIJROSWFAGK-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
7-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline
CID 175409113
2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
2-[(5-bromothiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54904205
2-[2-(4-fluorophenyl)sulfanylethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014282
2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61015179
5-amino-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 143544356
3-methyl-7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731734
N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
CID 63775315
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
2-(1,2-oxazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903159
2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 66046703

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 63775160) is 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cccc2c1CCN(CCc1cccs1)C2.
What is the InChIKey of 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is BNRSIJROSWFAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c16-15-5-1-3-12-11-17(9-7-14(12)15)8-6-13-4-2-10-18-13/h1-5,10H,6-9,11,16H2.
What are the key properties of 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 258.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 63775160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).