1-(2,4-dibromophenyl)-2-methylbutan-1-amine

C11H15Br2N — CID 107946440

IUPAC1-(2,4-dibromophenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2N/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7,11H,3,14H2,1-2H3
InChIKeyHGJDNRNPFXXVHO-UHFFFAOYSA-N
MW321.06 g/mol
LogP4.26
Rot. Bonds3

About 1-(2,4-dibromophenyl)-2-methylbutan-1-amine

1-(2,4-dibromophenyl)-2-methylbutan-1-amine (PubChem CID 107946440) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-methylbutan-1-amine
PubChem CID107946440
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name1-(2,4-dibromophenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2N/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7,11H,3,14H2,1-2H3
InChIKeyHGJDNRNPFXXVHO-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine
CID 60786291
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655
1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 79742752
2-[(1R)-1-amino-2-methylbutyl]-4-bromophenol;hydrochloride
CID 171198644
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
1-(2,4-dibromophenyl)-2-propan-2-yloxyethanamine
CID 107946374
3-[(1S)-1-amino-2-methylbutyl]-4-bromophenol
CID 131009992
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-2-methylbutan-1-amine (CID 107946440) is 1-(2,4-dibromophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-methylbutan-1-amine is CCC(C)C(N)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-methylbutan-1-amine?
The InChIKey is HGJDNRNPFXXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7,11H,3,14H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-methylbutan-1-amine?
1-(2,4-dibromophenyl)-2-methylbutan-1-amine has a molecular weight of 321.06 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 107946440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).