3,4-dihydro-1H-isochromen-7-ylmethanamine

C10H13NO — CID 82596474

IUPAC3,4-dihydro-1H-isochromen-7-ylmethanamine
SMILESNCc1ccc2c(c1)COCC2
InChIInChI=1S/C10H13NO/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5H,3-4,6-7,11H2
InChIKeyWXHISRJWGDOZLP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.22
Rot. Bonds1

About 3,4-dihydro-1H-isochromen-7-ylmethanamine

3,4-dihydro-1H-isochromen-7-ylmethanamine (PubChem CID 82596474) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-7-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-7-ylmethanamine
PubChem CID82596474
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3,4-dihydro-1H-isochromen-7-ylmethanamine
SMILESNCc1ccc2c(c1)COCC2
InChIInChI=1S/C10H13NO/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5H,3-4,6-7,11H2
InChIKeyWXHISRJWGDOZLP-UHFFFAOYSA-N
XLogP1.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-7-ylmethanamine?
The IUPAC name of 3,4-dihydro-1H-isochromen-7-ylmethanamine (CID 82596474) is 3,4-dihydro-1H-isochromen-7-ylmethanamine.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-7-ylmethanamine?
The canonical SMILES for 3,4-dihydro-1H-isochromen-7-ylmethanamine is NCc1ccc2c(c1)COCC2.
What is the InChIKey of 3,4-dihydro-1H-isochromen-7-ylmethanamine?
The InChIKey is WXHISRJWGDOZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5H,3-4,6-7,11H2.
What are the key properties of 3,4-dihydro-1H-isochromen-7-ylmethanamine?
3,4-dihydro-1H-isochromen-7-ylmethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-7-ylmethanamine is sourced from PubChem (CID 82596474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).