2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol

C11H16BrNO2 — CID 117437677

IUPAC2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
SMILESCOc1cc(O)c(C(C)CCN)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-7(3-4-13)8-5-9(12)11(15-2)6-10(8)14/h5-7,14H,3-4,13H2,1-2H3
InChIKeyAPLDAJZSVUKVTL-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.62
Rot. Bonds4

About 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol

2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol (PubChem CID 117437677) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
PubChem CID117437677
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
SMILESCOc1cc(O)c(C(C)CCN)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-7(3-4-13)8-5-9(12)11(15-2)6-10(8)14/h5-7,14H,3-4,13H2,1-2H3
InChIKeyAPLDAJZSVUKVTL-UHFFFAOYSA-N
XLogP2.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-ethoxy-4-methoxyphenyl)butan-1-amine
CID 117486791
2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117461466
2-(4-aminobutan-2-yl)-5-bromo-4-chlorophenol
CID 84811450
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376
3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 84714748
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
CID 117471634
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
1-amino-4-(5-bromo-2,4-dimethoxyphenyl)pentan-2-ol
CID 83925936

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol?
The IUPAC name of 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol (CID 117437677) is 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol?
The canonical SMILES for 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol is COc1cc(O)c(C(C)CCN)cc1Br.
What is the InChIKey of 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol?
The InChIKey is APLDAJZSVUKVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7(3-4-13)8-5-9(12)11(15-2)6-10(8)14/h5-7,14H,3-4,13H2,1-2H3.
What are the key properties of 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol?
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol has a molecular weight of 274.16 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol is sourced from PubChem (CID 117437677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).