2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine

C13H15N3 — CID 63305875

IUPAC2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
SMILESCc1cccnc1CNc1ccccc1N
InChIInChI=1S/C13H15N3/c1-10-5-4-8-15-13(10)9-16-12-7-3-2-6-11(12)14/h2-8,16H,9,14H2,1H3
InChIKeyLRDQVMDSJJEHBR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.58
Rot. Bonds3

About 2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine

2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 63305875) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID63305875
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
SMILESCc1cccnc1CNc1ccccc1N
InChIInChI=1S/C13H15N3/c1-10-5-4-8-15-13(10)9-16-12-7-3-2-6-11(12)14/h2-8,16H,9,14H2,1H3
InChIKeyLRDQVMDSJJEHBR-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
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-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine (CID 63305875) is 2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine is Cc1cccnc1CNc1ccccc1N.
What is the InChIKey of 2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is LRDQVMDSJJEHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-5-4-8-15-13(10)9-16-12-7-3-2-6-11(12)14/h2-8,16H,9,14H2,1H3.
What are the key properties of 2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine?
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 63305875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).