N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine

C16H20N2S — CID 62343135

IUPACN-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
SMILESCNCC1Cc2ccccc2CN1Cc1cccs1
InChIInChI=1S/C16H20N2S/c1-17-10-15-9-13-5-2-3-6-14(13)11-18(15)12-16-7-4-8-19-16/h2-8,15,17H,9-12H2,1H3
InChIKeyUZFYBVROOLPYNS-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.89
Rot. Bonds4

About N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine

N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine (PubChem CID 62343135) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
PubChem CID62343135
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
SMILESCNCC1Cc2ccccc2CN1Cc1cccs1
InChIInChI=1S/C16H20N2S/c1-17-10-15-9-13-5-2-3-6-14(13)11-18(15)12-16-7-4-8-19-16/h2-8,15,17H,9-12H2,1H3
InChIKeyUZFYBVROOLPYNS-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-iodophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
CID 65478020
1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
CID 55065813
1-[2-(2,2-difluoroethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
CID 62342339
1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
CID 62342338
1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 119030851
N-methyl-1-[2-(2-propylsulfonylethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 106725757
N-methyl-1-[2-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 106453466
N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine
CID 83100391
1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine;hydrochloride
CID 121206933
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
7-fluoro-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
CID 71432572
N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100890

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine (CID 62343135) is N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine is CNCC1Cc2ccccc2CN1Cc1cccs1.
What is the InChIKey of N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
The InChIKey is UZFYBVROOLPYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-17-10-15-9-13-5-2-3-6-14(13)11-18(15)12-16-7-4-8-19-16/h2-8,15,17H,9-12H2,1H3.
What are the key properties of N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine?
N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine has a molecular weight of 272.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine is sourced from PubChem (CID 62343135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).