N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine

C17H21N3O — CID 80637880

IUPACN-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(N2Cc3ccccc3C2)nc1
InChIInChI=1S/C17H21N3O/c1-21-9-8-18-10-14-6-7-17(19-11-14)20-12-15-4-2-3-5-16(15)13-20/h2-7,11,18H,8-10,12-13H2,1H3
InChIKeyCYKMUELEGCDGKZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.34
Rot. Bonds6

About N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 80637880) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID80637880
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(N2Cc3ccccc3C2)nc1
InChIInChI=1S/C17H21N3O/c1-21-9-8-18-10-14-6-7-17(19-11-14)20-12-15-4-2-3-5-16(15)13-20/h2-7,11,18H,8-10,12-13H2,1H3
InChIKeyCYKMUELEGCDGKZ-UHFFFAOYSA-N
XLogP2.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 115560699
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
2-methoxy-N-[[6-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 80636499
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743
N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80635766
N-[[6-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636263
8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80638259

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine (CID 80637880) is N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(N2Cc3ccccc3C2)nc1.
What is the InChIKey of N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is CYKMUELEGCDGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-9-8-18-10-14-6-7-17(19-11-14)20-12-15-4-2-3-5-16(15)13-20/h2-7,11,18H,8-10,12-13H2,1H3.
What are the key properties of N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 283.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 80637880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).