N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine

C16H20N2S — CID 55009024

IUPACN-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
SMILESCNCc1ccccc1N1CCc2sccc2C1C
InChIInChI=1S/C16H20N2S/c1-12-14-8-10-19-16(14)7-9-18(12)15-6-4-3-5-13(15)11-17-2/h3-6,8,10,12,17H,7,9,11H2,1-2H3
InChIKeyRQCGIUHJJFMFFQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.59
Rot. Bonds3

About N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine

N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine (PubChem CID 55009024) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
PubChem CID55009024
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
SMILESCNCc1ccccc1N1CCc2sccc2C1C
InChIInChI=1S/C16H20N2S/c1-12-14-8-10-19-16(14)7-9-18(12)15-6-4-3-5-13(15)11-17-2/h3-6,8,10,12,17H,7,9,11H2,1-2H3
InChIKeyRQCGIUHJJFMFFQ-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-difluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-N-methylmethanamine
CID 63078033
(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine
CID 103958758
1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine
CID 62281459
[2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
CID 79517021
N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-nitroaniline
CID 80789876
2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 63786834
5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 81233771
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethanamine
CID 62428095
4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 62590534
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 55011051
[3-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanol
CID 55040315
N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine
CID 62128446

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine (CID 55009024) is N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine is CNCc1ccccc1N1CCc2sccc2C1C.
What is the InChIKey of N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine?
The InChIKey is RQCGIUHJJFMFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-14-8-10-19-16(14)7-9-18(12)15-6-4-3-5-13(15)11-17-2/h3-6,8,10,12,17H,7,9,11H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine?
N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine has a molecular weight of 272.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine is sourced from PubChem (CID 55009024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).