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

C13H19NO — CID 82609980

IUPAC1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc2c(c1)CCOC2
InChIInChI=1S/C13H19NO/c1-13(2,14)8-10-3-4-12-9-15-6-5-11(12)7-10/h3-4,7H,5-6,8-9,14H2,1-2H3
InChIKeySRBNJHMJPWHFNA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.04
Rot. Bonds2

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

1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine (PubChem CID 82609980) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine
PubChem CID82609980
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc2c(c1)CCOC2
InChIInChI=1S/C13H19NO/c1-13(2,14)8-10-3-4-12-9-15-6-5-11(12)7-10/h3-4,7H,5-6,8-9,14H2,1-2H3
InChIKeySRBNJHMJPWHFNA-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine (CID 82609980) is 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1ccc2c(c1)CCOC2.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine?
The InChIKey is SRBNJHMJPWHFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,14)8-10-3-4-12-9-15-6-5-11(12)7-10/h3-4,7H,5-6,8-9,14H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine?
1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82609980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).