1-(2,4-dibromophenyl)oct-7-en-1-amine

C14H19Br2N — CID 107947175

IUPAC1-(2,4-dibromophenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2N/c1-2-3-4-5-6-7-14(17)12-9-8-11(15)10-13(12)16/h2,8-10,14H,1,3-7,17H2
InChIKeyKMWUMULEFZIPCS-UHFFFAOYSA-N
MW361.12 g/mol
LogP5.35
Rot. Bonds7

About 1-(2,4-dibromophenyl)oct-7-en-1-amine

1-(2,4-dibromophenyl)oct-7-en-1-amine (PubChem CID 107947175) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)oct-7-en-1-amine
PubChem CID107947175
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC Name1-(2,4-dibromophenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2N/c1-2-3-4-5-6-7-14(17)12-9-8-11(15)10-13(12)16/h2,8-10,14H,1,3-7,17H2
InChIKeyKMWUMULEFZIPCS-UHFFFAOYSA-N
XLogP5.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.12
LogP ≤ 55.35
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-(2-bromo-4-methylphenyl)hex-5-en-1-amine
CID 104987112
1-(2,4-dibromophenyl)hex-5-en-1-ol
CID 107947534
1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride
CID 171203790
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
1-(4-bromothiophen-2-yl)oct-7-en-1-amine
CID 107009134
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809
1-(2,4-dibromophenyl)pent-4-yn-1-amine
CID 107945868
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919
1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
1-(2-bromo-4-chlorophenyl)oct-7-enylhydrazine
CID 107997433

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)oct-7-en-1-amine?
The IUPAC name of 1-(2,4-dibromophenyl)oct-7-en-1-amine (CID 107947175) is 1-(2,4-dibromophenyl)oct-7-en-1-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)oct-7-en-1-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)oct-7-en-1-amine is C=CCCCCCC(N)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)oct-7-en-1-amine?
The InChIKey is KMWUMULEFZIPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-2-3-4-5-6-7-14(17)12-9-8-11(15)10-13(12)16/h2,8-10,14H,1,3-7,17H2.
What are the key properties of 1-(2,4-dibromophenyl)oct-7-en-1-amine?
1-(2,4-dibromophenyl)oct-7-en-1-amine has a molecular weight of 361.12 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)oct-7-en-1-amine is sourced from PubChem (CID 107947175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).