2-methyl-1,3-dihydroisoindol-4-amine

C9H12N2 — CID 21138365

IUPAC2-methyl-1,3-dihydroisoindol-4-amine
SMILESCN1Cc2cccc(N)c2C1
InChIInChI=1S/C9H12N2/c1-11-5-7-3-2-4-9(10)8(7)6-11/h2-4H,5-6,10H2,1H3
InChIKeyMZQCHOUSVHXNFI-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.21
Rot. Bonds

About 2-methyl-1,3-dihydroisoindol-4-amine

2-methyl-1,3-dihydroisoindol-4-amine (PubChem CID 21138365) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-methyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-methyl-1,3-dihydroisoindol-4-amine
PubChem CID21138365
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-methyl-1,3-dihydroisoindol-4-amine
SMILESCN1Cc2cccc(N)c2C1
InChIInChI=1S/C9H12N2/c1-11-5-7-3-2-4-9(10)8(7)6-11/h2-4H,5-6,10H2,1H3
InChIKeyMZQCHOUSVHXNFI-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-methyl-1,3-dihydroisoindol-4-amine (CID 21138365) is 2-methyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-methyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-methyl-1,3-dihydroisoindol-4-amine is CN1Cc2cccc(N)c2C1.
What is the InChIKey of 2-methyl-1,3-dihydroisoindol-4-amine?
The InChIKey is MZQCHOUSVHXNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-11-5-7-3-2-4-9(10)8(7)6-11/h2-4H,5-6,10H2,1H3.
What are the key properties of 2-methyl-1,3-dihydroisoindol-4-amine?
2-methyl-1,3-dihydroisoindol-4-amine has a molecular weight of 148.21 g/mol, XLogP of 1.21, 0 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-4-amine is sourced from PubChem (CID 21138365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).