4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine

C18H24N2 — CID 117041200

IUPAC4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine
SMILESCc1ccc(C(C)(C)C)cc1N(C)c1ccc(N)cc1
InChIInChI=1S/C18H24N2/c1-13-6-7-14(18(2,3)4)12-17(13)20(5)16-10-8-15(19)9-11-16/h6-12H,19H2,1-5H3
InChIKeyIMUQOBGVEYSFGF-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.64
Rot. Bonds2

About 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine

4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine (PubChem CID 117041200) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine
PubChem CID117041200
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine
SMILESCc1ccc(C(C)(C)C)cc1N(C)c1ccc(N)cc1
InChIInChI=1S/C18H24N2/c1-13-6-7-14(18(2,3)4)12-17(13)20(5)16-10-8-15(19)9-11-16/h6-12H,19H2,1-5H3
InChIKeyIMUQOBGVEYSFGF-UHFFFAOYSA-N
XLogP4.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine (CID 117041200) is 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine is Cc1ccc(C(C)(C)C)cc1N(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is IMUQOBGVEYSFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-6-7-14(18(2,3)4)12-17(13)20(5)16-10-8-15(19)9-11-16/h6-12H,19H2,1-5H3.
What are the key properties of 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine?
4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 117041200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).