1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine

C14H21Br2N — CID 107945526

IUPAC1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(Br)cc1Br
InChIInChI=1S/C14H21Br2N/c1-4-5-10(2)8-14(17-3)12-7-6-11(15)9-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyYPFKZMOHJPCKIM-UHFFFAOYSA-N
MW363.14 g/mol
LogP5.30
Rot. Bonds6

About 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine

1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine (PubChem CID 107945526) has the molecular formula C14H21Br2N and a molecular weight of 363.14 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine
PubChem CID107945526
Molecular FormulaC14H21Br2N
Molecular Weight363.14 g/mol
Exact Mass361.00
IUPAC Name1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(Br)cc1Br
InChIInChI=1S/C14H21Br2N/c1-4-5-10(2)8-14(17-3)12-7-6-11(15)9-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyYPFKZMOHJPCKIM-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.14
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845391
1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845233
1-(2-bromo-4-methylphenyl)-N,3,5-trimethylhexan-1-amine
CID 114201075
1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 107945186
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
1-(4-bromo-3-fluorophenyl)-N,3-dimethylhexan-1-amine
CID 115845296
1-(2,4-dibromophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 114019233
[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
CID 105280659
N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine
CID 60781859
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol
CID 115788916

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine (CID 107945526) is 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine is CCCC(C)CC(NC)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine?
The InChIKey is YPFKZMOHJPCKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2N/c1-4-5-10(2)8-14(17-3)12-7-6-11(15)9-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine?
1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine has a molecular weight of 363.14 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine is sourced from PubChem (CID 107945526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).