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

C10H14ClNO — CID 44658136

IUPAC3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride
SMILESCl.NCC1OCCc2ccccc21
InChIInChI=1S/C10H13NO.ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;/h1-4,10H,5-7,11H2;1H
InChIKeyGCESJUUFORTUCK-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.68
Rot. Bonds1

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

3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride (PubChem CID 44658136) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride
PubChem CID44658136
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride
SMILESCl.NCC1OCCc2ccccc21
InChIInChI=1S/C10H13NO.ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;/h1-4,10H,5-7,11H2;1H
InChIKeyGCESJUUFORTUCK-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride?
The IUPAC name of 3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride (CID 44658136) is 3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride?
The canonical SMILES for 3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride is Cl.NCC1OCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride?
The InChIKey is GCESJUUFORTUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;/h1-4,10H,5-7,11H2;1H.
What are the key properties of 3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride?
3,4-dihydro-1H-isochromen-1-ylmethanamine;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.68, 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-1-ylmethanamine;hydrochloride is sourced from PubChem (CID 44658136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).