4-(4-tert-butylphenoxy)-N-methylaniline

C17H21NO — CID 83549428

IUPAC4-(4-tert-butylphenoxy)-N-methylaniline
SMILESCNc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-17(2,3)13-5-9-15(10-6-13)19-16-11-7-14(18-4)8-12-16/h5-12,18H,1-4H3
InChIKeyMHUHBRSEKLFRFZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.82
Rot. Bonds3

About 4-(4-tert-butylphenoxy)-N-methylaniline

4-(4-tert-butylphenoxy)-N-methylaniline (PubChem CID 83549428) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-methylaniline.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-methylaniline
PubChem CID83549428
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-(4-tert-butylphenoxy)-N-methylaniline
SMILESCNc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-17(2,3)13-5-9-15(10-6-13)19-16-11-7-14(18-4)8-12-16/h5-12,18H,1-4H3
InChIKeyMHUHBRSEKLFRFZ-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-methylaniline?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-methylaniline (CID 83549428) is 4-(4-tert-butylphenoxy)-N-methylaniline.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-methylaniline?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-methylaniline is CNc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-methylaniline?
The InChIKey is MHUHBRSEKLFRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,3)13-5-9-15(10-6-13)19-16-11-7-14(18-4)8-12-16/h5-12,18H,1-4H3.
What are the key properties of 4-(4-tert-butylphenoxy)-N-methylaniline?
4-(4-tert-butylphenoxy)-N-methylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-methylaniline is sourced from PubChem (CID 83549428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).