2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine

C12H17NO — CID 82604168

IUPAC2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine
SMILESCC(C)(N)c1ccc2c(c1)CCOC2
InChIInChI=1S/C12H17NO/c1-12(2,13)11-4-3-10-8-14-6-5-9(10)7-11/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyBCYUMNQUDRRACZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.95
Rot. Bonds1

About 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine

2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine (PubChem CID 82604168) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine
PubChem CID82604168
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine
SMILESCC(C)(N)c1ccc2c(c1)CCOC2
InChIInChI=1S/C12H17NO/c1-12(2,13)11-4-3-10-8-14-6-5-9(10)7-11/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyBCYUMNQUDRRACZ-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine (CID 82604168) is 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine is CC(C)(N)c1ccc2c(c1)CCOC2.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine?
The InChIKey is BCYUMNQUDRRACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,13)11-4-3-10-8-14-6-5-9(10)7-11/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine?
2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine is sourced from PubChem (CID 82604168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).