(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride

C11H14Br2ClN — CID 171215459

IUPAC(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(Br)c(Br)c1.Cl
InChIInChI=1S/C11H13Br2N.ClH/c1-2-3-4-11(14)8-5-6-9(12)10(13)7-8;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m1./s1
InChIKeyUYBVFTUKRXYYIR-RFVHGSKJSA-N
MW355.50 g/mol
LogP4.60
Rot. Bonds4

About (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171215459) has the molecular formula C11H14Br2ClN and a molecular weight of 355.50 g/mol. Its IUPAC name is (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171215459
Molecular FormulaC11H14Br2ClN
Molecular Weight355.50 g/mol
Exact Mass352.92
IUPAC Name(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(Br)c(Br)c1.Cl
InChIInChI=1S/C11H13Br2N.ClH/c1-2-3-4-11(14)8-5-6-9(12)10(13)7-8;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m1./s1
InChIKeyUYBVFTUKRXYYIR-RFVHGSKJSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
CID 171204295
(1S)-1-(3,4-dibromophenyl)but-3-en-1-amine
CID 130682495
1-(4-bromo-3-methylphenyl)hex-5-en-1-amine
CID 104987126
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171223529
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine
CID 171215462
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride (CID 171215459) is (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1ccc(Br)c(Br)c1.Cl.
What is the InChIKey of (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is UYBVFTUKRXYYIR-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H13Br2N.ClH/c1-2-3-4-11(14)8-5-6-9(12)10(13)7-8;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 355.50 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171215459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).