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

C17H20N2O — CID 124502655

IUPAC(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
SMILESCc1nc(N2CCc3ccccc3C2)ccc1[C@H](C)O
InChIInChI=1S/C17H20N2O/c1-12-16(13(2)20)7-8-17(18-12)19-10-9-14-5-3-4-6-15(14)11-19/h3-8,13,20H,9-11H2,1-2H3/t13-/m0/s1
InChIKeyWOLCTIIVZFNSNW-ZDUSSCGKSA-N
MW268.36 g/mol
LogP3.01
Rot. Bonds2

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

(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol (PubChem CID 124502655) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
PubChem CID124502655
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
SMILESCc1nc(N2CCc3ccccc3C2)ccc1[C@H](C)O
InChIInChI=1S/C17H20N2O/c1-12-16(13(2)20)7-8-17(18-12)19-10-9-14-5-3-4-6-15(14)11-19/h3-8,13,20H,9-11H2,1-2H3/t13-/m0/s1
InChIKeyWOLCTIIVZFNSNW-ZDUSSCGKSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502660
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
CID 102546476
(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine
CID 124502664
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 124502141
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
CID 79884530
(1R)-1-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanol
CID 124502448
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]methanamine
CID 79884708
(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502668
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
CID 102546473
1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
CID 166246042
2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 53408781

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol (CID 124502655) is (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol is Cc1nc(N2CCc3ccccc3C2)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol?
The InChIKey is WOLCTIIVZFNSNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-16(13(2)20)7-8-17(18-12)19-10-9-14-5-3-4-6-15(14)11-19/h3-8,13,20H,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol?
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol has a molecular weight of 268.36 g/mol, XLogP of 3.01, 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-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol is sourced from PubChem (CID 124502655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).