4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline

C14H23NO2 — CID 83002701

IUPAC4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(OC(C)C(C)C)ccc1N
InChIInChI=1S/C14H23NO2/c1-9(2)11(5)17-12-6-7-13(15)14(8-12)16-10(3)4/h6-11H,15H2,1-5H3
InChIKeyQGOJBTAZXGCOFV-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.48
Rot. Bonds5

About 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline

4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline (PubChem CID 83002701) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
PubChem CID83002701
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(OC(C)C(C)C)ccc1N
InChIInChI=1S/C14H23NO2/c1-9(2)11(5)17-12-6-7-13(15)14(8-12)16-10(3)4/h6-11H,15H2,1-5H3
InChIKeyQGOJBTAZXGCOFV-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
CID 83001907
4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
CID 83002626
4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline
CID 83002906
4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline
CID 104560013
2,5-di(propan-2-yloxy)aniline
CID 18997718
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-amino-3-propan-2-yloxyphenol
CID 69025591
2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
CID 83005527
4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
CID 83002627
4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
CID 83002698
4-ethyl-2-propan-2-yloxyaniline
CID 91557957

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline (CID 83002701) is 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline is CC(C)Oc1cc(OC(C)C(C)C)ccc1N.
What is the InChIKey of 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline?
The InChIKey is QGOJBTAZXGCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(2)11(5)17-12-6-7-13(15)14(8-12)16-10(3)4/h6-11H,15H2,1-5H3.
What are the key properties of 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline?
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline has a molecular weight of 237.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).