4-ethyl-2-propan-2-yloxyaniline

C11H17NO — CID 91557957

IUPAC4-ethyl-2-propan-2-yloxyaniline
SMILESCCc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C11H17NO/c1-4-9-5-6-10(12)11(7-9)13-8(2)3/h5-8H,4,12H2,1-3H3
InChIKeyZRVUAIQQAFQUGY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.62
Rot. Bonds3

About 4-ethyl-2-propan-2-yloxyaniline

4-ethyl-2-propan-2-yloxyaniline (PubChem CID 91557957) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-ethyl-2-propan-2-yloxyaniline
PubChem CID91557957
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-ethyl-2-propan-2-yloxyaniline
SMILESCCc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C11H17NO/c1-4-9-5-6-10(12)11(7-9)13-8(2)3/h5-8H,4,12H2,1-3H3
InChIKeyZRVUAIQQAFQUGY-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.62
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

4-(methoxymethyl)-2-propan-2-yloxyaniline
CID 154827606
1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane
CID 143667993
4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yloxyaniline
CID 86698005
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-amino-3-propan-2-yloxyphenol
CID 69025591
2-butan-2-yloxy-5-ethylaniline
CID 54853195
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
4-N-[(4-bromophenyl)methyl]-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004684
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-benzylsulfanyl-2-propan-2-yloxyaniline
CID 83002704
4-(3-methylbutylsulfanyl)-2-propan-2-yloxyaniline
CID 107748158
2-[2-amino-5-(aminomethyl)phenoxy]propanenitrile
CID 82504829

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-yloxyaniline?
The IUPAC name of 4-ethyl-2-propan-2-yloxyaniline (CID 91557957) is 4-ethyl-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-ethyl-2-propan-2-yloxyaniline?
The canonical SMILES for 4-ethyl-2-propan-2-yloxyaniline is CCc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-ethyl-2-propan-2-yloxyaniline?
The InChIKey is ZRVUAIQQAFQUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9-5-6-10(12)11(7-9)13-8(2)3/h5-8H,4,12H2,1-3H3.
What are the key properties of 4-ethyl-2-propan-2-yloxyaniline?
4-ethyl-2-propan-2-yloxyaniline has a molecular weight of 179.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 91557957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).