2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine

C15H17N3 — CID 62307386

IUPAC2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCc1cccc(CN2Cc3ccc(N)cc3C2)n1
InChIInChI=1S/C15H17N3/c1-11-3-2-4-15(17-11)10-18-8-12-5-6-14(16)7-13(12)9-18/h2-7H,8-10,16H2,1H3
InChIKeySLHJWFVZKYWGSI-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.49
Rot. Bonds2

About 2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine

2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine (PubChem CID 62307386) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine
PubChem CID62307386
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCc1cccc(CN2Cc3ccc(N)cc3C2)n1
InChIInChI=1S/C15H17N3/c1-11-3-2-4-15(17-11)10-18-8-12-5-6-14(16)7-13(12)9-18/h2-7H,8-10,16H2,1H3
InChIKeySLHJWFVZKYWGSI-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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Related Compounds

2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine
CID 62847762
2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43175797
4-[7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931259
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
7-amino-4-[(6-methyl-2-pyridinyl)methyl]-1,4-benzoxazin-3-one
CID 79267257
4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 79267762
[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 46982833
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine
CID 66000715
1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 171912522
4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 79260870
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64948769

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine (CID 62307386) is 2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine is Cc1cccc(CN2Cc3ccc(N)cc3C2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine?
The InChIKey is SLHJWFVZKYWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-3-2-4-15(17-11)10-18-8-12-5-6-14(16)7-13(12)9-18/h2-7H,8-10,16H2,1H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine?
2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-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-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 62307386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).