N1-((S)-1-(4-bromophenyl)ethyl)-5-methyl-3-phenylhex-5-ene-1,3-diamine

HCID 59627223
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Basic information

Standard SMILES
C=C(C)CC(N)(CCN[C@@H](C)c1ccc(Br)cc1)c1ccccc1
InChIKey
QZQUPWDJDWSLBA-PBVYKCSPSA-N
Molecular formula
C21H27BrN2
Average molar mass
387.4 g/mol
Monoisotopic mass
386.13576

Names & identifiers

Preferred name
N1-((S)-1-(4-bromophenyl)ethyl)-5-methyl-3-phenylhex-5-ene-1,3-diamine
IUPAC
1-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methyl-3-phenylhex-5-ene-1,3-diamine

Names & synonyms

SCHEMBL13010782QZQUPWDJDWSLBA-PBVYKCSPSA-NN1-((S)-1-(4-bromophenyl)ethyl)-5-methyl-3-phenylhex-5-ene-1,3-diamine

Database identifiers

PubChem CID
59627223

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
38.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
24

Related reactions

1 records
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Compound notes

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N1-((S)-1-(4-bromophenyl)ethyl)-5-methyl-3-phenylhex-5-ene-1,3-diamine (HCID 59627223)｜Huagongshe