2-(4-tert-butylphenoxy)aniline

C16H19NO — CID 26189124

IUPAC2-(4-tert-butylphenoxy)aniline
SMILESCC(C)(C)c1ccc(Oc2ccccc2N)cc1
InChIInChI=1S/C16H19NO/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h4-11H,17H2,1-3H3
InChIKeyYGZXSSOPRWYUMO-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.36
Rot. Bonds2

About 2-(4-tert-butylphenoxy)aniline

2-(4-tert-butylphenoxy)aniline (PubChem CID 26189124) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)aniline.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)aniline
PubChem CID26189124
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(4-tert-butylphenoxy)aniline
SMILESCC(C)(C)c1ccc(Oc2ccccc2N)cc1
InChIInChI=1S/C16H19NO/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h4-11H,17H2,1-3H3
InChIKeyYGZXSSOPRWYUMO-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
CID 75365477
1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine
CID 170894598
1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250
2-[4-(4-ethylphenyl)phenoxy]aniline
CID 170400080
2-[4-(trifluoromethylsulfanyl)phenoxy]aniline
CID 54772422
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
N-[4-(2-aminophenoxy)phenyl]acetamide
CID 101461419
2-(4-tert-butylphenoxy)benzoate
CID 22015143

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)aniline?
The IUPAC name of 2-(4-tert-butylphenoxy)aniline (CID 26189124) is 2-(4-tert-butylphenoxy)aniline.
What is the SMILES notation for 2-(4-tert-butylphenoxy)aniline?
The canonical SMILES for 2-(4-tert-butylphenoxy)aniline is CC(C)(C)c1ccc(Oc2ccccc2N)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)aniline?
The InChIKey is YGZXSSOPRWYUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h4-11H,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)aniline?
2-(4-tert-butylphenoxy)aniline has a molecular weight of 241.33 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)aniline is sourced from PubChem (CID 26189124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).