2-butan-2-yloxy-5-ethylaniline

C12H19NO — CID 54853195

IUPAC2-butan-2-yloxy-5-ethylaniline
SMILESCCc1ccc(OC(C)CC)c(N)c1
InChIInChI=1S/C12H19NO/c1-4-9(3)14-12-7-6-10(5-2)8-11(12)13/h6-9H,4-5,13H2,1-3H3
InChIKeyQABVMJIMKDDCFA-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.01
Rot. Bonds4

About 2-butan-2-yloxy-5-ethylaniline

2-butan-2-yloxy-5-ethylaniline (PubChem CID 54853195) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-butan-2-yloxy-5-ethylaniline.

Molecular Properties

Compound Name2-butan-2-yloxy-5-ethylaniline
PubChem CID54853195
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-butan-2-yloxy-5-ethylaniline
SMILESCCc1ccc(OC(C)CC)c(N)c1
InChIInChI=1S/C12H19NO/c1-4-9(3)14-12-7-6-10(5-2)8-11(12)13/h6-9H,4-5,13H2,1-3H3
InChIKeyQABVMJIMKDDCFA-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.01
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 2-butan-2-yloxy-5-ethylaniline?
The IUPAC name of 2-butan-2-yloxy-5-ethylaniline (CID 54853195) is 2-butan-2-yloxy-5-ethylaniline.
What is the SMILES notation for 2-butan-2-yloxy-5-ethylaniline?
The canonical SMILES for 2-butan-2-yloxy-5-ethylaniline is CCc1ccc(OC(C)CC)c(N)c1.
What is the InChIKey of 2-butan-2-yloxy-5-ethylaniline?
The InChIKey is QABVMJIMKDDCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-9(3)14-12-7-6-10(5-2)8-11(12)13/h6-9H,4-5,13H2,1-3H3.
What are the key properties of 2-butan-2-yloxy-5-ethylaniline?
2-butan-2-yloxy-5-ethylaniline has a molecular weight of 193.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-5-ethylaniline is sourced from PubChem (CID 54853195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).