1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine

C13H20BrN — CID 84809083

IUPAC1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine
SMILESCC(C)c1ccc(Br)cc1CC(C)(C)N
InChIInChI=1S/C13H20BrN/c1-9(2)12-6-5-11(14)7-10(12)8-13(3,4)15/h5-7,9H,8,15H2,1-4H3
InChIKeyZQPOGEOUCKHHBV-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.85
Rot. Bonds3

About 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine

1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine (PubChem CID 84809083) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine
PubChem CID84809083
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine
SMILESCC(C)c1ccc(Br)cc1CC(C)(C)N
InChIInChI=1S/C13H20BrN/c1-9(2)12-6-5-11(14)7-10(12)8-13(3,4)15/h5-7,9H,8,15H2,1-4H3
InChIKeyZQPOGEOUCKHHBV-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
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CID 83901309
5-bromo-N-tert-butyl-2-propan-2-ylaniline
CID 135318709
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine
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4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine
CID 117330484
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol
CID 117296704
3-(4-bromo-2-ethylphenyl)butanal
CID 117390389
4-bromo-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
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1-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 116933616

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine (CID 84809083) is 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine is CC(C)c1ccc(Br)cc1CC(C)(C)N.
What is the InChIKey of 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine?
The InChIKey is ZQPOGEOUCKHHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-9(2)12-6-5-11(14)7-10(12)8-13(3,4)15/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine?
1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine has a molecular weight of 270.21 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 84809083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).