2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol

C12H18BrNO — CID 83903850

IUPAC2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol
SMILESCc1ccc(Br)c(O)c1C(CN)C(C)C
InChIInChI=1S/C12H18BrNO/c1-7(2)9(6-14)11-8(3)4-5-10(13)12(11)15/h4-5,7,9,15H,6,14H2,1-3H3
InChIKeyNYOMPAIGUSWHJY-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.16
Rot. Bonds3

About 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol

2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol (PubChem CID 83903850) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol.

Molecular Properties

Compound Name2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol
PubChem CID83903850
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol
SMILESCc1ccc(Br)c(O)c1C(CN)C(C)C
InChIInChI=1S/C12H18BrNO/c1-7(2)9(6-14)11-8(3)4-5-10(13)12(11)15/h4-5,7,9,15H,6,14H2,1-3H3
InChIKeyNYOMPAIGUSWHJY-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84814431
2-(3-bromo-2-hydroxy-6-methylphenyl)-3-methylbutanoic acid
CID 84813995
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
2-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 83730937
2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803107
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
2-[(1S)-1-amino-3-methylbutyl]-3-bromo-6-methylphenol;hydrochloride
CID 171252974
2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol
CID 83904397
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
2-(2-aminopropyl)-3-bromo-6-methylphenol
CID 117361743
2-(5-bromo-3-methylthiophen-2-yl)-3-methylbutan-1-amine
CID 83902113

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol?
The IUPAC name of 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol (CID 83903850) is 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol.
What is the SMILES notation for 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol?
The canonical SMILES for 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol is Cc1ccc(Br)c(O)c1C(CN)C(C)C.
What is the InChIKey of 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol?
The InChIKey is NYOMPAIGUSWHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-7(2)9(6-14)11-8(3)4-5-10(13)12(11)15/h4-5,7,9,15H,6,14H2,1-3H3.
What are the key properties of 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol?
2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol has a molecular weight of 272.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutan-2-yl)-6-bromo-3-methylphenol is sourced from PubChem (CID 83903850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).