4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine

C17H22N2 — CID 43436257

IUPAC4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccc(C(C)(C)C)cc2)ccc1N
InChIInChI=1S/C17H22N2/c1-12-11-15(9-10-16(12)18)19-14-7-5-13(6-8-14)17(2,3)4/h5-11,19H,18H2,1-4H3
InChIKeyIFYHMQLMRLGHNU-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.62
Rot. Bonds2

About 4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine

4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine (PubChem CID 43436257) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
PubChem CID43436257
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccc(C(C)(C)C)cc2)ccc1N
InChIInChI=1S/C17H22N2/c1-12-11-15(9-10-16(12)18)19-14-7-5-13(6-8-14)17(2,3)4/h5-11,19H,18H2,1-4H3
InChIKeyIFYHMQLMRLGHNU-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine (CID 43436257) is 4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine is Cc1cc(Nc2ccc(C(C)(C)C)cc2)ccc1N.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is IFYHMQLMRLGHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-11-15(9-10-16(12)18)19-14-7-5-13(6-8-14)17(2,3)4/h5-11,19H,18H2,1-4H3.
What are the key properties of 4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine?
4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 254.38 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43436257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).