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

C17H21N3 — CID 80633282

IUPAC2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine
SMILESCC1CCc2ccccc2N1c1ccc(CCN)cn1
InChIInChI=1S/C17H21N3/c1-13-6-8-15-4-2-3-5-16(15)20(13)17-9-7-14(10-11-18)12-19-17/h2-5,7,9,12-13H,6,8,10-11,18H2,1H3
InChIKeyRGQRMGJDOAQUTJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.06
Rot. Bonds3

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

2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine (PubChem CID 80633282) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine
PubChem CID80633282
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine
SMILESCC1CCc2ccccc2N1c1ccc(CCN)cn1
InChIInChI=1S/C17H21N3/c1-13-6-8-15-4-2-3-5-16(15)20(13)17-9-7-14(10-11-18)12-19-17/h2-5,7,9,12-13H,6,8,10-11,18H2,1H3
InChIKeyRGQRMGJDOAQUTJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine (CID 80633282) is 2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine is CC1CCc2ccccc2N1c1ccc(CCN)cn1.
What is the InChIKey of 2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is RGQRMGJDOAQUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-6-8-15-4-2-3-5-16(15)20(13)17-9-7-14(10-11-18)12-19-17/h2-5,7,9,12-13H,6,8,10-11,18H2,1H3.
What are the key properties of 2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine?
2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80633282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).