1-(4-bromo-3-methylphenyl)oct-7-en-1-amine

C15H22BrN — CID 107012120

IUPAC1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H22BrN/c1-3-4-5-6-7-8-15(17)13-9-10-14(16)12(2)11-13/h3,9-11,15H,1,4-8,17H2,2H3
InChIKeySTBFOIXIRYBLIM-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.89
Rot. Bonds7

About 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine

1-(4-bromo-3-methylphenyl)oct-7-en-1-amine (PubChem CID 107012120) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
PubChem CID107012120
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H22BrN/c1-3-4-5-6-7-8-15(17)13-9-10-14(16)12(2)11-13/h3,9-11,15H,1,4-8,17H2,2H3
InChIKeySTBFOIXIRYBLIM-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.89
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-(4-bromo-3-methylphenyl)hex-5-en-1-amine
CID 104987126
1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
CID 107008902
1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 104986986
1-(4-ethylphenyl)oct-7-en-1-amine
CID 107008823
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
1-(2,4-dibromophenyl)oct-7-en-1-amine
CID 107947175
(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine
CID 131144021
1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
CID 107011642
1-(2,3-dimethylphenyl)oct-7-en-1-amine
CID 107011723
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
CID 171204295
1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine
CID 107011543

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine (CID 107012120) is 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine is C=CCCCCCC(N)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine?
The InChIKey is STBFOIXIRYBLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-3-4-5-6-7-8-15(17)13-9-10-14(16)12(2)11-13/h3,9-11,15H,1,4-8,17H2,2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine?
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)oct-7-en-1-amine is sourced from PubChem (CID 107012120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).