1-(2,4-dibromophenyl)-N-propylheptan-1-amine

C16H25Br2N — CID 107945392

IUPAC1-(2,4-dibromophenyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ccc(Br)cc1Br
InChIInChI=1S/C16H25Br2N/c1-3-5-6-7-8-16(19-11-4-2)14-10-9-13(17)12-15(14)18/h9-10,12,16,19H,3-8,11H2,1-2H3
InChIKeyIEAIMWFHMZYNNZ-UHFFFAOYSA-N
MW391.19 g/mol
LogP6.22
Rot. Bonds9

About 1-(2,4-dibromophenyl)-N-propylheptan-1-amine

1-(2,4-dibromophenyl)-N-propylheptan-1-amine (PubChem CID 107945392) has the molecular formula C16H25Br2N and a molecular weight of 391.19 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-propylheptan-1-amine
PubChem CID107945392
Molecular FormulaC16H25Br2N
Molecular Weight391.19 g/mol
Exact Mass389.04
IUPAC Name1-(2,4-dibromophenyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ccc(Br)cc1Br
InChIInChI=1S/C16H25Br2N/c1-3-5-6-7-8-16(19-11-4-2)14-10-9-13(17)12-15(14)18/h9-10,12,16,19H,3-8,11H2,1-2H3
InChIKeyIEAIMWFHMZYNNZ-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.19
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(2-bromo-4-methylphenyl)-N-propyloctan-1-amine
CID 115832077
1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine
CID 107992534
1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
CID 115832820
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
1-(3-bromophenyl)-N-propyldecan-1-amine
CID 63413098
1-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
1-(5-bromo-2-chlorophenyl)-N-ethyloctan-1-amine
CID 115832368
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
1-(2,5-dibromophenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865316
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
CID 107994927

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-propylheptan-1-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-propylheptan-1-amine (CID 107945392) is 1-(2,4-dibromophenyl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-propylheptan-1-amine is CCCCCCC(NCCC)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-propylheptan-1-amine?
The InChIKey is IEAIMWFHMZYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br2N/c1-3-5-6-7-8-16(19-11-4-2)14-10-9-13(17)12-15(14)18/h9-10,12,16,19H,3-8,11H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-propylheptan-1-amine?
1-(2,4-dibromophenyl)-N-propylheptan-1-amine has a molecular weight of 391.19 g/mol, XLogP of 6.22, 9 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-propylheptan-1-amine is sourced from PubChem (CID 107945392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).