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

C17H21N3 — CID 81248813

IUPACN-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCc2ccccc2C1
InChIInChI=1S/C17H21N3/c1-2-18-11-16-12-19-9-7-17(16)20-10-8-14-5-3-4-6-15(14)13-20/h3-7,9,12,18H,2,8,10-11,13H2,1H3
InChIKeyFSZRHGSVAJDLQF-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.75
Rot. Bonds4

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

N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 81248813) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID81248813
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCc2ccccc2C1
InChIInChI=1S/C17H21N3/c1-2-18-11-16-12-19-9-7-17(16)20-10-8-14-5-3-4-6-15(14)13-20/h3-7,9,12,18H,2,8,10-11,13H2,1H3
InChIKeyFSZRHGSVAJDLQF-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine
CID 43313766
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247739
N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 81246777
N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247052
2-[3-(chloromethyl)-4-pyridinyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 81234156
N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 114925111
N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine
CID 81253435
N-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluorophenyl]methyl]ethanamine
CID 84753459
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 81248341
1-[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81248353

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine (CID 81248813) is N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1N1CCc2ccccc2C1.
What is the InChIKey of N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is FSZRHGSVAJDLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-18-11-16-12-19-9-7-17(16)20-10-8-14-5-3-4-6-15(14)13-20/h3-7,9,12,18H,2,8,10-11,13H2,1H3.
What are the key properties of N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81248813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).