2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine

C15H17N3 — CID 114957269

IUPAC2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCc1ccncc1CN1Cc2cccc(N)c2C1
InChIInChI=1S/C15H17N3/c1-11-5-6-17-7-13(11)9-18-8-12-3-2-4-15(16)14(12)10-18/h2-7H,8-10,16H2,1H3
InChIKeyRBZDAKLHMCYDEH-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.49
Rot. Bonds2

About 2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine

2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine (PubChem CID 114957269) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine
PubChem CID114957269
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCc1ccncc1CN1Cc2cccc(N)c2C1
InChIInChI=1S/C15H17N3/c1-11-5-6-17-7-13(11)9-18-8-12-3-2-4-15(16)14(12)10-18/h2-7H,8-10,16H2,1H3
InChIKeyRBZDAKLHMCYDEH-UHFFFAOYSA-N
XLogP2.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine (CID 114957269) is 2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine is Cc1ccncc1CN1Cc2cccc(N)c2C1.
What is the InChIKey of 2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is RBZDAKLHMCYDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-5-6-17-7-13(11)9-18-8-12-3-2-4-15(16)14(12)10-18/h2-7H,8-10,16H2,1H3.
What are the key properties of 2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine?
2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 114957269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).