N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine

C17H18BrN — CID 159996667

IUPACN-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\Cc1ccccc1Br
InChIInChI=1S/C17H18BrN/c1-14(11-12-15-7-3-2-4-8-15)19-13-16-9-5-6-10-17(16)18/h2-10H,11-13H2,1H3/b19-14+
InChIKeyGAGDXVIVCZZIJQ-XMHGGMMESA-N
MW316.24 g/mol
LogP5.04
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine

N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine (PubChem CID 159996667) has the molecular formula C17H18BrN and a molecular weight of 316.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine
PubChem CID159996667
Molecular FormulaC17H18BrN
Molecular Weight316.24 g/mol
Exact Mass315.06
IUPAC NameN-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\Cc1ccccc1Br
InChIInChI=1S/C17H18BrN/c1-14(11-12-15-7-3-2-4-8-15)19-13-16-9-5-6-10-17(16)18/h2-10H,11-13H2,1H3/b19-14+
InChIKeyGAGDXVIVCZZIJQ-XMHGGMMESA-N
XLogP5.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.24
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine
CID 89415418
N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide
CID 123260709
2-phenylethyl 2-(2-bromophenyl)acetate
CID 141456939
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
CID 89164600
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579
2-[(2-bromophenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 162310547
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
(E)-N-(azepan-1-yl)-4-phenylbutan-2-imine
CID 15442581
(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
CID 135072310
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912322

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine (CID 159996667) is N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine is C/C(CCc1ccccc1)=N\Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine?
The InChIKey is GAGDXVIVCZZIJQ-XMHGGMMESA-N. The full InChI is InChI=1S/C17H18BrN/c1-14(11-12-15-7-3-2-4-8-15)19-13-16-9-5-6-10-17(16)18/h2-10H,11-13H2,1H3/b19-14+.
What are the key properties of N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine?
N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine has a molecular weight of 316.24 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine is sourced from PubChem (CID 159996667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).