4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol

C11H16BrNO — CID 117398550

IUPAC4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol
SMILESCc1cc(O)c(Br)cc1CC(C)(C)N
InChIInChI=1S/C11H16BrNO/c1-7-4-10(14)9(12)5-8(7)6-11(2,3)13/h4-5,14H,6,13H2,1-3H3
InChIKeyIHHKOZURRSETHY-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.74
Rot. Bonds2

About 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol

4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol (PubChem CID 117398550) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol
PubChem CID117398550
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol
SMILESCc1cc(O)c(Br)cc1CC(C)(C)N
InChIInChI=1S/C11H16BrNO/c1-7-4-10(14)9(12)5-8(7)6-11(2,3)13/h4-5,14H,6,13H2,1-3H3
InChIKeyIHHKOZURRSETHY-UHFFFAOYSA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
CID 82281489
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
CID 117465337
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
5-(2-aminoethyl)-2-bromo-4-methylphenol
CID 84793488
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
2-(2-amino-2-methylpropyl)phenol
CID 22723438
1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 117404058
3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313360
1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine
CID 84805283

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol?
The IUPAC name of 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol (CID 117398550) is 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol is Cc1cc(O)c(Br)cc1CC(C)(C)N.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol?
The InChIKey is IHHKOZURRSETHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-4-10(14)9(12)5-8(7)6-11(2,3)13/h4-5,14H,6,13H2,1-3H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol?
4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol has a molecular weight of 258.16 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol is sourced from PubChem (CID 117398550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).