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

C12H18BrNO2 — CID 117465337

IUPAC6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
SMILESCOc1c(Br)cc(CC(C)(C)N)c(O)c1C
InChIInChI=1S/C12H18BrNO2/c1-7-10(15)8(6-12(2,3)14)5-9(13)11(7)16-4/h5,15H,6,14H2,1-4H3
InChIKeyYHAAEHDTCBREFK-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.75
Rot. Bonds3

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

6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol (PubChem CID 117465337) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol.

Molecular Properties

Compound Name6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
PubChem CID117465337
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
SMILESCOc1c(Br)cc(CC(C)(C)N)c(O)c1C
InChIInChI=1S/C12H18BrNO2/c1-7-10(15)8(6-12(2,3)14)5-9(13)11(7)16-4/h5,15H,6,14H2,1-4H3
InChIKeyYHAAEHDTCBREFK-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
CID 117437685
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
6-(2-amino-2-methylpropyl)-3-methoxy-2-methylphenol
CID 117299283
4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol
CID 117398550
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol?
The IUPAC name of 6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol (CID 117465337) is 6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol.
What is the SMILES notation for 6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol?
The canonical SMILES for 6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol is COc1c(Br)cc(CC(C)(C)N)c(O)c1C.
What is the InChIKey of 6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol?
The InChIKey is YHAAEHDTCBREFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-7-10(15)8(6-12(2,3)14)5-9(13)11(7)16-4/h5,15H,6,14H2,1-4H3.
What are the key properties of 6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol?
6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol has a molecular weight of 288.19 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol is sourced from PubChem (CID 117465337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).