1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine

C16H23Br2N — CID 107012011

IUPAC1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1cc(Br)ccc1Br
InChIInChI=1S/C16H23Br2N/c1-3-5-6-7-8-9-16(19-4-2)14-12-13(17)10-11-15(14)18/h3,10-12,16,19H,1,4-9H2,2H3
InChIKeyRCGUNUMVNBLDKL-UHFFFAOYSA-N
MW389.18 g/mol
LogP6.00
Rot. Bonds9

About 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine

1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine (PubChem CID 107012011) has the molecular formula C16H23Br2N and a molecular weight of 389.18 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
PubChem CID107012011
Molecular FormulaC16H23Br2N
Molecular Weight389.18 g/mol
Exact Mass387.02
IUPAC Name1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
SMILESC=CCCCCCC(NCC)c1cc(Br)ccc1Br
InChIInChI=1S/C16H23Br2N/c1-3-5-6-7-8-9-16(19-4-2)14-12-13(17)10-11-15(14)18/h3,10-12,16,19H,1,4-9H2,2H3
InChIKeyRCGUNUMVNBLDKL-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.18
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(2,5-dibromophenyl)-N-ethylhex-4-yn-1-amine
CID 105037425
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009080
1-(5-bromo-2-chlorophenyl)-N-ethyloctan-1-amine
CID 115832368
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919
1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
CID 105153151
1-(2,5-dibromophenyl)-N-ethylbut-3-yn-1-amine
CID 114977656

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine (CID 107012011) is 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine is C=CCCCCCC(NCC)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine?
The InChIKey is RCGUNUMVNBLDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2N/c1-3-5-6-7-8-9-16(19-4-2)14-12-13(17)10-11-15(14)18/h3,10-12,16,19H,1,4-9H2,2H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine?
1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine has a molecular weight of 389.18 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine is sourced from PubChem (CID 107012011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).