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

C10H13NO — CID 54080829

IUPAC3,4-dihydro-1H-isochromen-3-ylmethanamine
SMILESNCC1Cc2ccccc2CO1
InChIInChI=1S/C10H13NO/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10H,5-7,11H2
InChIKeyMMZKPTNDPNDNKS-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.09
Rot. Bonds1

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

3,4-dihydro-1H-isochromen-3-ylmethanamine (PubChem CID 54080829) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-3-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-3-ylmethanamine
PubChem CID54080829
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3,4-dihydro-1H-isochromen-3-ylmethanamine
SMILESNCC1Cc2ccccc2CO1
InChIInChI=1S/C10H13NO/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10H,5-7,11H2
InChIKeyMMZKPTNDPNDNKS-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
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-3-ylmethanamine?
The IUPAC name of 3,4-dihydro-1H-isochromen-3-ylmethanamine (CID 54080829) is 3,4-dihydro-1H-isochromen-3-ylmethanamine.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-3-ylmethanamine?
The canonical SMILES for 3,4-dihydro-1H-isochromen-3-ylmethanamine is NCC1Cc2ccccc2CO1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-3-ylmethanamine?
The InChIKey is MMZKPTNDPNDNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10H,5-7,11H2.
What are the key properties of 3,4-dihydro-1H-isochromen-3-ylmethanamine?
3,4-dihydro-1H-isochromen-3-ylmethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.09, 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-3-ylmethanamine is sourced from PubChem (CID 54080829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).