4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine

C13H15N3 — CID 115126655

IUPAC4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine
SMILESCc1cc(N)c(Nc2ccncc2)cc1C
InChIInChI=1S/C13H15N3/c1-9-7-12(14)13(8-10(9)2)16-11-3-5-15-6-4-11/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyDVCTWNNNZNPVML-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.02
Rot. Bonds2

About 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine

4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine (PubChem CID 115126655) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine
PubChem CID115126655
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine
SMILESCc1cc(N)c(Nc2ccncc2)cc1C
InChIInChI=1S/C13H15N3/c1-9-7-12(14)13(8-10(9)2)16-11-3-5-15-6-4-11/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyDVCTWNNNZNPVML-UHFFFAOYSA-N
XLogP3.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.02
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 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine?
The IUPAC name of 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine (CID 115126655) is 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine is Cc1cc(N)c(Nc2ccncc2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine?
The InChIKey is DVCTWNNNZNPVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-7-12(14)13(8-10(9)2)16-11-3-5-15-6-4-11/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine?
4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine has a molecular weight of 213.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 115126655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).