3,4-dihydro-1H-isochromen-8-ylmethanamine

C10H13NO — CID 82596475

IUPAC3,4-dihydro-1H-isochromen-8-ylmethanamine
SMILESNCc1cccc2c1COCC2
InChIInChI=1S/C10H13NO/c11-6-9-3-1-2-8-4-5-12-7-10(8)9/h1-3H,4-7,11H2
InChIKeyPZUQXNHJRQFIOQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.22
Rot. Bonds1

About 3,4-dihydro-1H-isochromen-8-ylmethanamine

3,4-dihydro-1H-isochromen-8-ylmethanamine (PubChem CID 82596475) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-8-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-8-ylmethanamine
PubChem CID82596475
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3,4-dihydro-1H-isochromen-8-ylmethanamine
SMILESNCc1cccc2c1COCC2
InChIInChI=1S/C10H13NO/c11-6-9-3-1-2-8-4-5-12-7-10(8)9/h1-3H,4-7,11H2
InChIKeyPZUQXNHJRQFIOQ-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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Related Compounds

methyl 2-(3,4-dihydro-1H-isochromen-8-yl)acetate
CID 176954749
8-chloro-3,4-dihydro-1H-isochromene
CID 90917909
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279468
4-(3,4-dihydro-1H-isochromen-5-yl)butan-1-amine
CID 117293860
5-(chloromethyl)-3,4-dihydro-1H-isochromene
CID 124706944
8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279514
[2-(3,4-dihydro-1H-isochromen-6-yl)phenyl]methanamine
CID 174841266
2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid
CID 82402911
8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene
CID 171496490
4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine
CID 117306878
2-(3,4-dihydro-1H-isochromen-8-ylmethylamino)-5,5-dimethylhexanoic acid
CID 174215767

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-8-ylmethanamine?
The IUPAC name of 3,4-dihydro-1H-isochromen-8-ylmethanamine (CID 82596475) is 3,4-dihydro-1H-isochromen-8-ylmethanamine.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-8-ylmethanamine?
The canonical SMILES for 3,4-dihydro-1H-isochromen-8-ylmethanamine is NCc1cccc2c1COCC2.
What is the InChIKey of 3,4-dihydro-1H-isochromen-8-ylmethanamine?
The InChIKey is PZUQXNHJRQFIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-6-9-3-1-2-8-4-5-12-7-10(8)9/h1-3H,4-7,11H2.
What are the key properties of 3,4-dihydro-1H-isochromen-8-ylmethanamine?
3,4-dihydro-1H-isochromen-8-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-8-ylmethanamine is sourced from PubChem (CID 82596475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).