N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine

C11H15NO — CID 163367773

IUPACN,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine
SMILESCNc1cccc2c1COC(C)C2
InChIInChI=1S/C11H15NO/c1-8-6-9-4-3-5-11(12-2)10(9)7-13-8/h3-5,8,12H,6-7H2,1-2H3
InChIKeyHOSNIPVIJBWJOB-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.19
Rot. Bonds1

About N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine

N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine (PubChem CID 163367773) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine.

Molecular Properties

Compound NameN,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine
PubChem CID163367773
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine
SMILESCNc1cccc2c1COC(C)C2
InChIInChI=1S/C11H15NO/c1-8-6-9-4-3-5-11(12-2)10(9)7-13-8/h3-5,8,12H,6-7H2,1-2H3
InChIKeyHOSNIPVIJBWJOB-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine?
The IUPAC name of N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine (CID 163367773) is N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine.
What is the SMILES notation for N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine?
The canonical SMILES for N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine is CNc1cccc2c1COC(C)C2.
What is the InChIKey of N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine?
The InChIKey is HOSNIPVIJBWJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-9-4-3-5-11(12-2)10(9)7-13-8/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine?
N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine has a molecular weight of 177.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine is sourced from PubChem (CID 163367773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).