8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine

C12H19NO — CID 142279468

IUPAC8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
SMILESCNC.Cc1cccc2c1COCC2
InChIInChI=1S/C10H12O.C2H7N/c1-8-3-2-4-9-5-6-11-7-10(8)9;1-3-2/h2-4H,5-7H2,1H3;3H,1-2H3
InChIKeyCNTMBYNELLQLSV-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.90
Rot. Bonds

About 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine

8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine (PubChem CID 142279468) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine.

Molecular Properties

Compound Name8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
PubChem CID142279468
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
SMILESCNC.Cc1cccc2c1COCC2
InChIInChI=1S/C10H12O.C2H7N/c1-8-3-2-4-9-5-6-11-7-10(8)9;1-3-2/h2-4H,5-7H2,1H3;3H,1-2H3
InChIKeyCNTMBYNELLQLSV-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine?
The IUPAC name of 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine (CID 142279468) is 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine.
What is the SMILES notation for 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine?
The canonical SMILES for 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine is CNC.Cc1cccc2c1COCC2.
What is the InChIKey of 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine?
The InChIKey is CNTMBYNELLQLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C2H7N/c1-8-3-2-4-9-5-6-11-7-10(8)9;1-3-2/h2-4H,5-7H2,1H3;3H,1-2H3.
What are the key properties of 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine?
8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine is sourced from PubChem (CID 142279468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).