2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol

C11H16BrNO — CID 83901631

IUPAC2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
SMILESCc1cc(Br)c(O)c(CC(C)CN)c1
InChIInChI=1S/C11H16BrNO/c1-7-3-9(4-8(2)6-13)11(14)10(12)5-7/h3,5,8,14H,4,6,13H2,1-2H3
InChIKeyINKLIEONDFQEAZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol

2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol (PubChem CID 83901631) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
PubChem CID83901631
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
SMILESCc1cc(Br)c(O)c(CC(C)CN)c1
InChIInChI=1S/C11H16BrNO/c1-7-3-9(4-8(2)6-13)11(14)10(12)5-7/h3,5,8,14H,4,6,13H2,1-2H3
InChIKeyINKLIEONDFQEAZ-UHFFFAOYSA-N
XLogP2.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
CID 83904589
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol
CID 83903801
2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol
CID 84802476
3-(3-bromo-2-hydroxy-5-methylphenyl)propanal
CID 166772839
2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 134109781
2-bromo-6-[[3-[(3-bromo-2-hydroxy-5-methylphenyl)methylamino]propylamino]methyl]-4-methylphenol
CID 135362270
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104881067
2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
CID 117318763
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol?
The IUPAC name of 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol (CID 83901631) is 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol?
The canonical SMILES for 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol is Cc1cc(Br)c(O)c(CC(C)CN)c1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol?
The InChIKey is INKLIEONDFQEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-3-9(4-8(2)6-13)11(14)10(12)5-7/h3,5,8,14H,4,6,13H2,1-2H3.
What are the key properties of 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol?
2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol has a molecular weight of 258.16 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol is sourced from PubChem (CID 83901631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).