2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol

C15H25NO — CID 117343674

IUPAC2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)c(CC(C)(C)N)c1O
InChIInChI=1S/C15H25NO/c1-6-11-7-8-12(10(2)3)13(14(11)17)9-15(4,5)16/h7-8,10,17H,6,9,16H2,1-5H3
InChIKeyYTSOFQONUUXEBJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds4

About 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol

2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol (PubChem CID 117343674) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
PubChem CID117343674
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)c(CC(C)(C)N)c1O
InChIInChI=1S/C15H25NO/c1-6-11-7-8-12(10(2)3)13(14(11)17)9-15(4,5)16/h7-8,10,17H,6,9,16H2,1-5H3
InChIKeyYTSOFQONUUXEBJ-UHFFFAOYSA-N
XLogP3.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
CID 117316995
3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117415665
2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
CID 117343732
2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid
CID 117345076
1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 84809083
2,3-bis(2-methylpropyl)-4-propan-2-ylphenol
CID 139802113
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
CID 117441154
6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
CID 84697064
2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene
CID 159108769
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
6-ethyl-3-methyl-2-propan-2-ylphenol
CID 89393245
2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol?
The IUPAC name of 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol (CID 117343674) is 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol?
The canonical SMILES for 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol is CCc1ccc(C(C)C)c(CC(C)(C)N)c1O.
What is the InChIKey of 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol?
The InChIKey is YTSOFQONUUXEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-11-7-8-12(10(2)3)13(14(11)17)9-15(4,5)16/h7-8,10,17H,6,9,16H2,1-5H3.
What are the key properties of 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol?
2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol has a molecular weight of 235.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol is sourced from PubChem (CID 117343674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).