4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline

C15H25NO2 — CID 126498667

IUPAC4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline
SMILESCC(C)(C)OCCC(C)(C)Oc1ccc(N)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,3)17-11-10-15(4,5)18-13-8-6-12(16)7-9-13/h6-9H,10-11,16H2,1-5H3
InChIKeyBCRIEKWXCHRWQA-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.63
Rot. Bonds5

About 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline

4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline (PubChem CID 126498667) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline.

Molecular Properties

Compound Name4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline
PubChem CID126498667
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline
SMILESCC(C)(C)OCCC(C)(C)Oc1ccc(N)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,3)17-11-10-15(4,5)18-13-8-6-12(16)7-9-13/h6-9H,10-11,16H2,1-5H3
InChIKeyBCRIEKWXCHRWQA-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline?
The IUPAC name of 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline (CID 126498667) is 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline.
What is the SMILES notation for 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline?
The canonical SMILES for 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline is CC(C)(C)OCCC(C)(C)Oc1ccc(N)cc1.
What is the InChIKey of 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline?
The InChIKey is BCRIEKWXCHRWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,3)17-11-10-15(4,5)18-13-8-6-12(16)7-9-13/h6-9H,10-11,16H2,1-5H3.
What are the key properties of 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline?
4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline has a molecular weight of 251.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline is sourced from PubChem (CID 126498667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).