4-(5-tert-butyl-2-methoxyphenyl)aniline

C17H21NO — CID 83655480

IUPAC4-(5-tert-butyl-2-methoxyphenyl)aniline
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(N)cc1
InChIInChI=1S/C17H21NO/c1-17(2,3)13-7-10-16(19-4)15(11-13)12-5-8-14(18)9-6-12/h5-11H,18H2,1-4H3
InChIKeyWQJCEQMJSBEQTD-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.24
Rot. Bonds2

About 4-(5-tert-butyl-2-methoxyphenyl)aniline

4-(5-tert-butyl-2-methoxyphenyl)aniline (PubChem CID 83655480) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methoxyphenyl)aniline
PubChem CID83655480
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-(5-tert-butyl-2-methoxyphenyl)aniline
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(N)cc1
InChIInChI=1S/C17H21NO/c1-17(2,3)13-7-10-16(19-4)15(11-13)12-5-8-14(18)9-6-12/h5-11H,18H2,1-4H3
InChIKeyWQJCEQMJSBEQTD-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
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-(5-tert-butyl-2-methoxyphenyl)aniline?
The IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)aniline (CID 83655480) is 4-(5-tert-butyl-2-methoxyphenyl)aniline.
What is the SMILES notation for 4-(5-tert-butyl-2-methoxyphenyl)aniline?
The canonical SMILES for 4-(5-tert-butyl-2-methoxyphenyl)aniline is COc1ccc(C(C)(C)C)cc1-c1ccc(N)cc1.
What is the InChIKey of 4-(5-tert-butyl-2-methoxyphenyl)aniline?
The InChIKey is WQJCEQMJSBEQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,3)13-7-10-16(19-4)15(11-13)12-5-8-14(18)9-6-12/h5-11H,18H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-methoxyphenyl)aniline?
4-(5-tert-butyl-2-methoxyphenyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methoxyphenyl)aniline is sourced from PubChem (CID 83655480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).