4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine

C16H21N3 — CID 106750291

IUPAC4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
SMILESCC(C)(C)c1ccc(Nc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)11-4-6-12(7-5-11)19-13-8-9-14(17)15(18)10-13/h4-10,19H,17-18H2,1-3H3
InChIKeyJEHOZIKFXRVTPL-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.89
Rot. Bonds2

About 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine

4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine (PubChem CID 106750291) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
PubChem CID106750291
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
SMILESCC(C)(C)c1ccc(Nc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)11-4-6-12(7-5-11)19-13-8-9-14(17)15(18)10-13/h4-10,19H,17-18H2,1-3H3
InChIKeyJEHOZIKFXRVTPL-UHFFFAOYSA-N
XLogP3.89
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.89
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 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine (CID 106750291) is 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine is CC(C)(C)c1ccc(Nc2ccc(N)c(N)c2)cc1.
What is the InChIKey of 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine?
The InChIKey is JEHOZIKFXRVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)11-4-6-12(7-5-11)19-13-8-9-14(17)15(18)10-13/h4-10,19H,17-18H2,1-3H3.
What are the key properties of 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine?
4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine has a molecular weight of 255.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).