2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol

C12H18BrNO2 — CID 117465351

IUPAC2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C(C)(C)N)c1Br
InChIInChI=1S/C12H18BrNO2/c1-5-7-6-8(16-4)11(15)9(10(7)13)12(2,3)14/h6,15H,5,14H2,1-4H3
InChIKeyVSQCLCBZDGZPQQ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.92
Rot. Bonds3

About 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol

2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol (PubChem CID 117465351) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
PubChem CID117465351
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C(C)(C)N)c1Br
InChIInChI=1S/C12H18BrNO2/c1-5-7-6-8(16-4)11(15)9(10(7)13)12(2,3)14/h6,15H,5,14H2,1-4H3
InChIKeyVSQCLCBZDGZPQQ-UHFFFAOYSA-N
XLogP2.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
CID 117488219
3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
CID 84710429
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
CID 84714045
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
CID 117483377
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 84677805
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine
CID 84810436
(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene
CID 59309470

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol?
The IUPAC name of 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol (CID 117465351) is 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol is CCc1cc(OC)c(O)c(C(C)(C)N)c1Br.
What is the InChIKey of 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol?
The InChIKey is VSQCLCBZDGZPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-5-7-6-8(16-4)11(15)9(10(7)13)12(2,3)14/h6,15H,5,14H2,1-4H3.
What are the key properties of 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol?
2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol has a molecular weight of 288.19 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol is sourced from PubChem (CID 117465351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).