2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol

C15H25NO — CID 117343732

IUPAC2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)c(C(C)CCN)c1O
InChIInChI=1S/C15H25NO/c1-5-12-6-7-13(10(2)3)14(15(12)17)11(4)8-9-16/h6-7,10-11,17H,5,8-9,16H2,1-4H3
InChIKeyCNSJDBBORDJKMR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol

2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol (PubChem CID 117343732) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
PubChem CID117343732
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)c(C(C)CCN)c1O
InChIInChI=1S/C15H25NO/c1-5-12-6-7-13(10(2)3)14(15(12)17)11(4)8-9-16/h6-7,10-11,17H,5,8-9,16H2,1-4H3
InChIKeyCNSJDBBORDJKMR-UHFFFAOYSA-N
XLogP3.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid
CID 117345076
2-(4-aminobutan-2-yl)-6-ethylphenol
CID 117284201
2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
CID 117316995
6-ethyl-3-methyl-2-propan-2-ylphenol
CID 89393245
2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
CID 117343674
2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
CID 117441154
3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117415665
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
CID 84697064
3-butan-2-yl-6-propan-2-ylbenzene-1,2-diol
CID 146417092

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol?
The IUPAC name of 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol (CID 117343732) is 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol?
The canonical SMILES for 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol is CCc1ccc(C(C)C)c(C(C)CCN)c1O.
What is the InChIKey of 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol?
The InChIKey is CNSJDBBORDJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12-6-7-13(10(2)3)14(15(12)17)11(4)8-9-16/h6-7,10-11,17H,5,8-9,16H2,1-4H3.
What are the key properties of 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol?
2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol has a molecular weight of 235.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol is sourced from PubChem (CID 117343732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).