1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine

C11H16N2O — CID 114396701

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C11H16N2O/c1-13(14-2)8-9-3-4-10-6-12-7-11(10)5-9/h3-5,12H,6-8H2,1-2H3
InChIKeyQKJYSFPRERJDQY-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.28
Rot. Bonds3

About 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine

1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine (PubChem CID 114396701) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
PubChem CID114396701
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C11H16N2O/c1-13(14-2)8-9-3-4-10-6-12-7-11(10)5-9/h3-5,12H,6-8H2,1-2H3
InChIKeyQKJYSFPRERJDQY-UHFFFAOYSA-N
XLogP1.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 103998409
methyl 3-(2,3-dihydro-1H-isoindol-5-yl)propanoate
CID 115104742
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine
CID 103998390
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine
CID 103998308
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline
CID 103997968
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103534857

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine (CID 114396701) is 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine is CON(C)Cc1ccc2c(c1)CNC2.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine?
The InChIKey is QKJYSFPRERJDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13(14-2)8-9-3-4-10-6-12-7-11(10)5-9/h3-5,12H,6-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine?
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine has a molecular weight of 192.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine is sourced from PubChem (CID 114396701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).