1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine

C15H18N2S — CID 65262140

IUPAC1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESc1ccc2c(c1)CNCC2CNCc1ccsc1
InChIInChI=1S/C15H18N2S/c1-2-4-15-13(3-1)8-17-10-14(15)9-16-7-12-5-6-18-11-12/h1-6,11,14,16-17H,7-10H2
InChIKeyWJYQQENOPHWVFP-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.72
Rot. Bonds4

About 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine

1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 65262140) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID65262140
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESc1ccc2c(c1)CNCC2CNCc1ccsc1
InChIInChI=1S/C15H18N2S/c1-2-4-15-13(3-1)8-17-10-14(15)9-16-7-12-5-6-18-11-12/h1-6,11,14,16-17H,7-10H2
InChIKeyWJYQQENOPHWVFP-UHFFFAOYSA-N
XLogP2.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 65262140) is 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine is c1ccc2c(c1)CNCC2CNCc1ccsc1.
What is the InChIKey of 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is WJYQQENOPHWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-4-15-13(3-1)8-17-10-14(15)9-16-7-12-5-6-18-11-12/h1-6,11,14,16-17H,7-10H2.
What are the key properties of 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine?
1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 258.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 65262140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).