2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine

C16H20N2 — CID 158445825

IUPAC2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine
SMILESCNCc1ccccc1.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.C8H11N/c1-2-4-8-6-9-5-7(8)3-1;1-9-7-8-5-3-2-4-6-8/h1-4,9H,5-6H2;2-6,9H,7H2,1H3
InChIKeyHDJMKBAKCRUFSI-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.70
Rot. Bonds2

About 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine

2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine (PubChem CID 158445825) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine
PubChem CID158445825
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine
SMILESCNCc1ccccc1.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.C8H11N/c1-2-4-8-6-9-5-7(8)3-1;1-9-7-8-5-3-2-4-6-8/h1-4,9H,5-6H2;2-6,9H,7H2,1H3
InChIKeyHDJMKBAKCRUFSI-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
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CID 161490745
2,3-dihydro-1H-isoindole;propane
CID 143664117
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CID 21395132
azane;2,3-dihydro-1H-isoindole
CID 23342931
2,3-dihydro-1H-isoindole;molecular hydrogen
CID 144672550
ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane
CID 143717501
N-benzyl-N-methylethanamine;N-methyl-1-phenylmethanamine
CID 142094869
ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine
CID 162733997
1-phenyl-N-phosphanylmethanamine
CID 59702451
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine?
The IUPAC name of 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine (CID 158445825) is 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine.
What is the SMILES notation for 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine?
The canonical SMILES for 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine is CNCc1ccccc1.c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine?
The InChIKey is HDJMKBAKCRUFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C8H11N/c1-2-4-8-6-9-5-7(8)3-1;1-9-7-8-5-3-2-4-6-8/h1-4,9H,5-6H2;2-6,9H,7H2,1H3.
What are the key properties of 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine?
2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine has a molecular weight of 240.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 158445825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).