2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine

C21H24BrN — CID 144906483

IUPAC2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine
SMILES[H]/N=C(\c1cccc(Br)c1)C(Cc1ccccc1)C(C)C1CCC1
InChIInChI=1S/C21H24BrN/c1-15(17-9-5-10-17)20(13-16-7-3-2-4-8-16)21(23)18-11-6-12-19(22)14-18/h2-4,6-8,11-12,14-15,17,20,23H,5,9-10,13H2,1H3/b23-21+
InChIKeyCFUDLAUDXOYFKT-XTQSDGFTSA-N
MW370.33 g/mol
LogP6.11
Rot. Bonds6

About 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine

2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine (PubChem CID 144906483) has the molecular formula C21H24BrN and a molecular weight of 370.33 g/mol. Its IUPAC name is 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine.

Molecular Properties

Compound Name2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine
PubChem CID144906483
Molecular FormulaC21H24BrN
Molecular Weight370.33 g/mol
Exact Mass369.11
IUPAC Name2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine
SMILES[H]/N=C(\c1cccc(Br)c1)C(Cc1ccccc1)C(C)C1CCC1
InChIInChI=1S/C21H24BrN/c1-15(17-9-5-10-17)20(13-16-7-3-2-4-8-16)21(23)18-11-6-12-19(22)14-18/h2-4,6-8,11-12,14-15,17,20,23H,5,9-10,13H2,1H3/b23-21+
InChIKeyCFUDLAUDXOYFKT-XTQSDGFTSA-N
XLogP6.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
2-(3-bromophenyl)-1-cycloheptylethanol
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1-cyclopentyl-2-phenylethanamine
CID 50988646
N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989
1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene
CID 83150733
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
2-cyclohexylpropylbenzene
CID 15846297
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631
N-[(3-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
CID 63177509
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine?
The IUPAC name of 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine (CID 144906483) is 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine.
What is the SMILES notation for 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine?
The canonical SMILES for 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine is [H]/N=C(\c1cccc(Br)c1)C(Cc1ccccc1)C(C)C1CCC1.
What is the InChIKey of 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine?
The InChIKey is CFUDLAUDXOYFKT-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H24BrN/c1-15(17-9-5-10-17)20(13-16-7-3-2-4-8-16)21(23)18-11-6-12-19(22)14-18/h2-4,6-8,11-12,14-15,17,20,23H,5,9-10,13H2,1H3/b23-21+.
What are the key properties of 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine?
2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine has a molecular weight of 370.33 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine is sourced from PubChem (CID 144906483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).