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

C16H20N2S — CID 65261890

IUPACN-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCN(Cc1ccsc1)CC1CNCc2ccccc21
InChIInChI=1S/C16H20N2S/c1-18(10-13-6-7-19-12-13)11-15-9-17-8-14-4-2-3-5-16(14)15/h2-7,12,15,17H,8-11H2,1H3
InChIKeyOGSMOOISZFKKJD-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.07
Rot. Bonds4

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

N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 65261890) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID65261890
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCN(Cc1ccsc1)CC1CNCc2ccccc21
InChIInChI=1S/C16H20N2S/c1-18(10-13-6-7-19-12-13)11-15-9-17-8-14-4-2-3-5-16(14)15/h2-7,12,15,17H,8-11H2,1H3
InChIKeyOGSMOOISZFKKJD-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 65262140
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509
N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine
CID 65486181
N-methyl-1-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262274
N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 43528182
[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 79527589
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262416
N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 79385237
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 79005146

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 65261890) is N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine is CN(Cc1ccsc1)CC1CNCc2ccccc21.
What is the InChIKey of N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is OGSMOOISZFKKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-18(10-13-6-7-19-12-13)11-15-9-17-8-14-4-2-3-5-16(14)15/h2-7,12,15,17H,8-11H2,1H3.
What are the key properties of N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine?
N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 272.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 65261890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).