(2-methyl-1,3-dihydroisoindol-5-yl)methanamine

C10H14N2 — CID 82502825

IUPAC(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
SMILESCN1Cc2ccc(CN)cc2C1
InChIInChI=1S/C10H14N2/c1-12-6-9-3-2-8(5-11)4-10(9)7-12/h2-4H,5-7,11H2,1H3
InChIKeyJTFADFRGJAHKCZ-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.09
Rot. Bonds1

About (2-methyl-1,3-dihydroisoindol-5-yl)methanamine

(2-methyl-1,3-dihydroisoindol-5-yl)methanamine (PubChem CID 82502825) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2-methyl-1,3-dihydroisoindol-5-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
PubChem CID82502825
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
SMILESCN1Cc2ccc(CN)cc2C1
InChIInChI=1S/C10H14N2/c1-12-6-9-3-2-8(5-11)4-10(9)7-12/h2-4H,5-7,11H2,1H3
InChIKeyJTFADFRGJAHKCZ-UHFFFAOYSA-N
XLogP1.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-methyl-1,3-dihydroisoindol-5-yl)methanamine 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 (2-methyl-1,3-dihydroisoindol-5-yl)methanamine?
The IUPAC name of (2-methyl-1,3-dihydroisoindol-5-yl)methanamine (CID 82502825) is (2-methyl-1,3-dihydroisoindol-5-yl)methanamine.
What is the SMILES notation for (2-methyl-1,3-dihydroisoindol-5-yl)methanamine?
The canonical SMILES for (2-methyl-1,3-dihydroisoindol-5-yl)methanamine is CN1Cc2ccc(CN)cc2C1.
What is the InChIKey of (2-methyl-1,3-dihydroisoindol-5-yl)methanamine?
The InChIKey is JTFADFRGJAHKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-12-6-9-3-2-8(5-11)4-10(9)7-12/h2-4H,5-7,11H2,1H3.
What are the key properties of (2-methyl-1,3-dihydroisoindol-5-yl)methanamine?
(2-methyl-1,3-dihydroisoindol-5-yl)methanamine has a molecular weight of 162.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dihydroisoindol-5-yl)methanamine is sourced from PubChem (CID 82502825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).