2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol

C15H25NO — CID 117343729

IUPAC2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(C(C)CCN)c1
InChIInChI=1S/C15H25NO/c1-5-15(3,4)12-6-7-14(17)13(10-12)11(2)8-9-16/h6-7,10-11,17H,5,8-9,16H2,1-4H3
InChIKeyKAZISKUBHVCBHM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol

2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol (PubChem CID 117343729) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol
PubChem CID117343729
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(C(C)CCN)c1
InChIInChI=1S/C15H25NO/c1-5-15(3,4)12-6-7-14(17)13(10-12)11(2)8-9-16/h6-7,10-11,17H,5,8-9,16H2,1-4H3
InChIKeyKAZISKUBHVCBHM-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

4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
CID 67779766
2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117318683
2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol
CID 117320731
2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117413896
3-amino-2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 117381731
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992
2-(1-aminoethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117377747
2-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-6-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-4-(2-methylbutan-2-yl)phenol
CID 23156052
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol (CID 117343729) is 2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1ccc(O)c(C(C)CCN)c1.
What is the InChIKey of 2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol?
The InChIKey is KAZISKUBHVCBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(3,4)12-6-7-14(17)13(10-12)11(2)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)-4-(2-methylbutan-2-yl)phenol?
2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol 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)-4-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 117343729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).