3-benzyl-6-methylbenzene-1,2,4-triamine

C14H17N3 — CID 88666591

IUPAC3-benzyl-6-methylbenzene-1,2,4-triamine
SMILESCc1cc(N)c(Cc2ccccc2)c(N)c1N
InChIInChI=1S/C14H17N3/c1-9-7-12(15)11(14(17)13(9)16)8-10-5-3-2-4-6-10/h2-7H,8,15-17H2,1H3
InChIKeyMVOIUTVRENTNIN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.33
Rot. Bonds2

About 3-benzyl-6-methylbenzene-1,2,4-triamine

3-benzyl-6-methylbenzene-1,2,4-triamine (PubChem CID 88666591) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-benzyl-6-methylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name3-benzyl-6-methylbenzene-1,2,4-triamine
PubChem CID88666591
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-benzyl-6-methylbenzene-1,2,4-triamine
SMILESCc1cc(N)c(Cc2ccccc2)c(N)c1N
InChIInChI=1S/C14H17N3/c1-9-7-12(15)11(14(17)13(9)16)8-10-5-3-2-4-6-10/h2-7H,8,15-17H2,1H3
InChIKeyMVOIUTVRENTNIN-UHFFFAOYSA-N
XLogP2.33
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.33
H-Bond Donors ≤ 53
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 3-benzyl-6-methylbenzene-1,2,4-triamine?
The IUPAC name of 3-benzyl-6-methylbenzene-1,2,4-triamine (CID 88666591) is 3-benzyl-6-methylbenzene-1,2,4-triamine.
What is the SMILES notation for 3-benzyl-6-methylbenzene-1,2,4-triamine?
The canonical SMILES for 3-benzyl-6-methylbenzene-1,2,4-triamine is Cc1cc(N)c(Cc2ccccc2)c(N)c1N.
What is the InChIKey of 3-benzyl-6-methylbenzene-1,2,4-triamine?
The InChIKey is MVOIUTVRENTNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-7-12(15)11(14(17)13(9)16)8-10-5-3-2-4-6-10/h2-7H,8,15-17H2,1H3.
What are the key properties of 3-benzyl-6-methylbenzene-1,2,4-triamine?
3-benzyl-6-methylbenzene-1,2,4-triamine has a molecular weight of 227.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methylbenzene-1,2,4-triamine is sourced from PubChem (CID 88666591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).