(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine

C17H21N3 — CID 124502660

IUPAC(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
SMILESCc1nc(N2CCc3ccccc3C2)ccc1[C@@H](C)N
InChIInChI=1S/C17H21N3/c1-12(18)16-7-8-17(19-13(16)2)20-10-9-14-5-3-4-6-15(14)11-20/h3-8,12H,9-11,18H2,1-2H3/t12-/m1/s1
InChIKeyQUMUEOJMXSIGEO-GFCCVEGCSA-N
MW267.38 g/mol
LogP2.97
Rot. Bonds2

About (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine

(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine (PubChem CID 124502660) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
PubChem CID124502660
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
SMILESCc1nc(N2CCc3ccccc3C2)ccc1[C@@H](C)N
InChIInChI=1S/C17H21N3/c1-12(18)16-7-8-17(19-13(16)2)20-10-9-14-5-3-4-6-15(14)11-20/h3-8,12H,9-11,18H2,1-2H3/t12-/m1/s1
InChIKeyQUMUEOJMXSIGEO-GFCCVEGCSA-N
XLogP2.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine with MolForge

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Related Compounds

(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502655
(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine
CID 124502664
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
CID 102546476
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanamine
CID 79884708
(1S)-1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 124502468
(1R)-1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 124502467
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde
CID 102546467
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
CID 79884530
(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502674
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502673
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
CID 102546473
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine (CID 124502660) is (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine is Cc1nc(N2CCc3ccccc3C2)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine?
The InChIKey is QUMUEOJMXSIGEO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3/c1-12(18)16-7-8-17(19-13(16)2)20-10-9-14-5-3-4-6-15(14)11-20/h3-8,12H,9-11,18H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine?
(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 124502660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).