3-ethoxy-2-propan-2-ylaniline

C11H17NO — CID 154678316

IUPAC3-ethoxy-2-propan-2-ylaniline
SMILESCCOc1cccc(N)c1C(C)C
InChIInChI=1S/C11H17NO/c1-4-13-10-7-5-6-9(12)11(10)8(2)3/h5-8H,4,12H2,1-3H3
InChIKeySRFLLXBEBPRKCN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.79
Rot. Bonds3

About 3-ethoxy-2-propan-2-ylaniline

3-ethoxy-2-propan-2-ylaniline (PubChem CID 154678316) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-ethoxy-2-propan-2-ylaniline.

Molecular Properties

Compound Name3-ethoxy-2-propan-2-ylaniline
PubChem CID154678316
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-ethoxy-2-propan-2-ylaniline
SMILESCCOc1cccc(N)c1C(C)C
InChIInChI=1S/C11H17NO/c1-4-13-10-7-5-6-9(12)11(10)8(2)3/h5-8H,4,12H2,1-3H3
InChIKeySRFLLXBEBPRKCN-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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-ethoxyaniline;molecular hydrogen
CID 144877970
1-(2-chloro-6-ethoxyphenyl)ethanamine
CID 130164060
2-ethoxy-6-(4-fluorophenoxy)aniline
CID 113392806
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
(3-amino-2-propan-2-ylphenyl) ethaneperoxoate
CID 89306763
3-(2-ethoxy-6-methoxyphenyl)butan-1-amine
CID 117320562
2-ethoxyaniline;propan-2-one
CID 517004
2-chloro-2-(2,6-diethoxyphenyl)acetamide
CID 70093878
1-(2-bromo-6-ethoxyphenyl)ethanol
CID 133057756
2-(2-amino-1-hydroxyethyl)-3-ethoxyphenol
CID 18627913
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-propan-2-ylaniline?
The IUPAC name of 3-ethoxy-2-propan-2-ylaniline (CID 154678316) is 3-ethoxy-2-propan-2-ylaniline.
What is the SMILES notation for 3-ethoxy-2-propan-2-ylaniline?
The canonical SMILES for 3-ethoxy-2-propan-2-ylaniline is CCOc1cccc(N)c1C(C)C.
What is the InChIKey of 3-ethoxy-2-propan-2-ylaniline?
The InChIKey is SRFLLXBEBPRKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-13-10-7-5-6-9(12)11(10)8(2)3/h5-8H,4,12H2,1-3H3.
What are the key properties of 3-ethoxy-2-propan-2-ylaniline?
3-ethoxy-2-propan-2-ylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-propan-2-ylaniline is sourced from PubChem (CID 154678316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).