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

C22H23N3 — CID 124502664

IUPAC(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine
SMILESCc1nc(N2CCc3ccccc3C2)ccc1[C@H](N)c1ccccc1
InChIInChI=1S/C22H23N3/c1-16-20(22(23)18-8-3-2-4-9-18)11-12-21(24-16)25-14-13-17-7-5-6-10-19(17)15-25/h2-12,22H,13-15,23H2,1H3/t22-/m1/s1
InChIKeyNZGOFMISNXKNNU-JOCHJYFZSA-N
MW329.45 g/mol
LogP4.00
Rot. Bonds3

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

(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine (PubChem CID 124502664) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is (R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine.

Molecular Properties

Compound Name(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine
PubChem CID124502664
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine
SMILESCc1nc(N2CCc3ccccc3C2)ccc1[C@H](N)c1ccccc1
InChIInChI=1S/C22H23N3/c1-16-20(22(23)18-8-3-2-4-9-18)11-12-21(24-16)25-14-13-17-7-5-6-10-19(17)15-25/h2-12,22H,13-15,23H2,1H3/t22-/m1/s1
InChIKeyNZGOFMISNXKNNU-JOCHJYFZSA-N
XLogP4.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
CID 102546476
(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502660
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502655
(S)-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanamine
CID 124502498
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanamine
CID 79884708
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
CID 102546473
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
(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124502145
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
5-[(R)-amino(phenyl)methyl]-N,6-dimethylpyridin-2-amine
CID 124502252
2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 53408781

Frequently Asked Questions

What is the IUPAC name of (R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine?
The IUPAC name of (R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine (CID 124502664) is (R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine.
What is the SMILES notation for (R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine?
The canonical SMILES for (R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine is Cc1nc(N2CCc3ccccc3C2)ccc1[C@H](N)c1ccccc1.
What is the InChIKey of (R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine?
The InChIKey is NZGOFMISNXKNNU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N3/c1-16-20(22(23)18-8-3-2-4-9-18)11-12-21(24-16)25-14-13-17-7-5-6-10-19(17)15-25/h2-12,22H,13-15,23H2,1H3/t22-/m1/s1.
What are the key properties of (R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine?
(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine has a molecular weight of 329.45 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine is sourced from PubChem (CID 124502664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).