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

C17H21N3 — CID 104822114

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C17H21N3/c1-13-6-7-15(11-19-13)17(10-18)20-9-8-14-4-2-3-5-16(14)12-20/h2-7,11,17H,8-10,12,18H2,1H3
InChIKeyMLNHEBMCFJEXIQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.45
Rot. Bonds3

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 104822114) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
PubChem CID104822114
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C17H21N3/c1-13-6-7-15(11-19-13)17(10-18)20-9-8-14-4-2-3-5-16(14)12-20/h2-7,11,17H,8-10,12,18H2,1H3
InChIKeyMLNHEBMCFJEXIQ-UHFFFAOYSA-N
XLogP2.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine (CID 104822114) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine is Cc1ccc(C(CN)N2CCc3ccccc3C2)cn1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is MLNHEBMCFJEXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-6-7-15(11-19-13)17(10-18)20-9-8-14-4-2-3-5-16(14)12-20/h2-7,11,17H,8-10,12,18H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 104822114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).