2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

C16H21N3O — CID 83214487

IUPAC2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3cccnc3OC)cc21
InChIInChI=1S/C16H21N3O/c1-17-15-7-3-5-12-9-19(11-14(12)15)10-13-6-4-8-18-16(13)20-2/h4,6,8-9,11,15,17H,3,5,7,10H2,1-2H3
InChIKeyXGXQFAOVGRZZFU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83214487) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83214487
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3cccnc3OC)cc21
InChIInChI=1S/C16H21N3O/c1-17-15-7-3-5-12-9-19(11-14(12)15)10-13-6-4-8-18-16(13)20-2/h4,6,8-9,11,15,17H,3,5,7,10H2,1-2H3
InChIKeyXGXQFAOVGRZZFU-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212983
N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208066
2-[(3-bromo-4-methoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210655
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210816
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212147
N-ethyl-2-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83211807
2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213062
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213481
4-[[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]methyl]benzonitrile
CID 83211319
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208070
2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208813
N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83216084

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83214487) is 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(Cc3cccnc3OC)cc21.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is XGXQFAOVGRZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-15-7-3-5-12-9-19(11-14(12)15)10-13-6-4-8-18-16(13)20-2/h4,6,8-9,11,15,17H,3,5,7,10H2,1-2H3.
What are the key properties of 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83214487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).