1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

C25H26BrN — CID 58238566

IUPAC1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C25H26BrN/c1-17(2)22-14-9-15-23(18(3)4)25(22)27-24(19-10-6-5-7-11-19)20-12-8-13-21(26)16-20/h5-18H,1-4H3/b27-24+
InChIKeyFFGARFPFMVDITE-SOYKGTTHSA-N
MW420.39 g/mol
LogP7.86
Rot. Bonds5

About 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (PubChem CID 58238566) has the molecular formula C25H26BrN and a molecular weight of 420.39 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
PubChem CID58238566
Molecular FormulaC25H26BrN
Molecular Weight420.39 g/mol
Exact Mass419.12
IUPAC Name1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C25H26BrN/c1-17(2)22-14-9-15-23(18(3)4)25(22)27-24(19-10-6-5-7-11-19)20-12-8-13-21(26)16-20/h5-18H,1-4H3/b27-24+
InChIKeyFFGARFPFMVDITE-SOYKGTTHSA-N
XLogP7.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The IUPAC name of 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (CID 58238566) is 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is CC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The InChIKey is FFGARFPFMVDITE-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H26BrN/c1-17(2)22-14-9-15-23(18(3)4)25(22)27-24(19-10-6-5-7-11-19)20-12-8-13-21(26)16-20/h5-18H,1-4H3/b27-24+.
What are the key properties of 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine has a molecular weight of 420.39 g/mol, XLogP of 7.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 58238566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).