1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine

C11H15Br2NO — CID 170889165

IUPAC1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1cc(Br)cc(Br)c1OC
InChIInChI=1S/C11H15Br2NO/c1-3-9(14)5-7-4-8(12)6-10(13)11(7)15-2/h4,6,9H,3,5,14H2,1-2H3
InChIKeyNECGZVHIPMLSPV-UHFFFAOYSA-N
MW337.06 g/mol
LogP3.50
Rot. Bonds4

About 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine

1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine (PubChem CID 170889165) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine
PubChem CID170889165
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1cc(Br)cc(Br)c1OC
InChIInChI=1S/C11H15Br2NO/c1-3-9(14)5-7-4-8(12)6-10(13)11(7)15-2/h4,6,9H,3,5,14H2,1-2H3
InChIKeyNECGZVHIPMLSPV-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-3-methyl-2-(2-methylbutoxy)phenyl]butan-2-amine
CID 112621761
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
5-(2-aminobutyl)-4-bromo-2-methoxyphenol
CID 170888665
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-[5-bromo-3-methyl-2-(3-methylsulfonylpropoxy)phenyl]butan-2-amine
CID 115962988
1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890086
1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride
CID 170889223
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide
CID 115962991

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine (CID 170889165) is 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine is CCC(N)Cc1cc(Br)cc(Br)c1OC.
What is the InChIKey of 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine?
The InChIKey is NECGZVHIPMLSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-3-9(14)5-7-4-8(12)6-10(13)11(7)15-2/h4,6,9H,3,5,14H2,1-2H3.
What are the key properties of 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine?
1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine has a molecular weight of 337.06 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 170889165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).