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

C17H21N3 — CID 124502674

IUPAC(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
SMILESCc1nc(N2CCCc3ccccc32)ccc1[C@H](C)N
InChIInChI=1S/C17H21N3/c1-12(18)15-9-10-17(19-13(15)2)20-11-5-7-14-6-3-4-8-16(14)20/h3-4,6,8-10,12H,5,7,11,18H2,1-2H3/t12-/m0/s1
InChIKeyLTEJKIYLIWSWAP-LBPRGKRZSA-N
MW267.38 g/mol
LogP3.49
Rot. Bonds2

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

(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine (PubChem CID 124502674) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is (1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
PubChem CID124502674
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
SMILESCc1nc(N2CCCc3ccccc32)ccc1[C@H](C)N
InChIInChI=1S/C17H21N3/c1-12(18)15-9-10-17(19-13(15)2)20-11-5-7-14-6-3-4-8-16(14)20/h3-4,6,8-10,12H,5,7,11,18H2,1-2H3/t12-/m0/s1
InChIKeyLTEJKIYLIWSWAP-LBPRGKRZSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502673
(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502668
(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502660
1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 114047648
(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
CID 79009222
(1S)-1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 124502468
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633070
(R)-[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]-phenylmethanamine
CID 124502163
2-[6-(2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546514
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine
CID 43188883
2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80959581
(1R)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 55182824

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine (CID 124502674) is (1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine is Cc1nc(N2CCCc3ccccc32)ccc1[C@H](C)N.
What is the InChIKey of (1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine?
The InChIKey is LTEJKIYLIWSWAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3/c1-12(18)15-9-10-17(19-13(15)2)20-11-5-7-14-6-3-4-8-16(14)20/h3-4,6,8-10,12H,5,7,11,18H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine?
(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 124502674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).