2-(4-bromo-2-methoxyphenyl)butan-2-amine

C11H16BrNO — CID 130134221

IUPAC2-(4-bromo-2-methoxyphenyl)butan-2-amine
SMILESCCC(C)(N)c1ccc(Br)cc1OC
InChIInChI=1S/C11H16BrNO/c1-4-11(2,13)9-6-5-8(12)7-10(9)14-3/h5-7H,4,13H2,1-3H3
InChIKeyJOOWDQSQISOUTN-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-bromo-2-methoxyphenyl)butan-2-amine

2-(4-bromo-2-methoxyphenyl)butan-2-amine (PubChem CID 130134221) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenyl)butan-2-amine
PubChem CID130134221
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(4-bromo-2-methoxyphenyl)butan-2-amine
SMILESCCC(C)(N)c1ccc(Br)cc1OC
InChIInChI=1S/C11H16BrNO/c1-4-11(2,13)9-6-5-8(12)7-10(9)14-3/h5-7H,4,13H2,1-3H3
InChIKeyJOOWDQSQISOUTN-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64573817
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
2-amino-2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 55273470
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
3-[[5-bromo-2-(trifluoromethyl)phenoxy]methyl]pentan-3-amine
CID 107289936
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
2-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 82777110
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
CID 83844871
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705506
1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 82777912

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenyl)butan-2-amine?
The IUPAC name of 2-(4-bromo-2-methoxyphenyl)butan-2-amine (CID 130134221) is 2-(4-bromo-2-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenyl)butan-2-amine?
The canonical SMILES for 2-(4-bromo-2-methoxyphenyl)butan-2-amine is CCC(C)(N)c1ccc(Br)cc1OC.
What is the InChIKey of 2-(4-bromo-2-methoxyphenyl)butan-2-amine?
The InChIKey is JOOWDQSQISOUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-4-11(2,13)9-6-5-8(12)7-10(9)14-3/h5-7H,4,13H2,1-3H3.
What are the key properties of 2-(4-bromo-2-methoxyphenyl)butan-2-amine?
2-(4-bromo-2-methoxyphenyl)butan-2-amine has a molecular weight of 258.16 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 130134221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).