1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine

C20H16BrNO — CID 126217743

IUPAC1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESBrc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16BrNO/c21-18-10-6-17(7-11-18)15-23-20-12-8-16(9-13-20)14-22-19-4-2-1-3-5-19/h1-14H,15H2/b22-14+
InChIKeyNTWMDPHOUDSPAO-HYARGMPZSA-N
MW366.26 g/mol
LogP5.78
Rot. Bonds5

About 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine

1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine (PubChem CID 126217743) has the molecular formula C20H16BrNO and a molecular weight of 366.26 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
PubChem CID126217743
Molecular FormulaC20H16BrNO
Molecular Weight366.26 g/mol
Exact Mass365.04
IUPAC Name1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESBrc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16BrNO/c21-18-10-6-17(7-11-18)15-23-20-12-8-16(9-13-20)14-22-19-4-2-1-3-5-19/h1-14H,15H2/b22-14+
InChIKeyNTWMDPHOUDSPAO-HYARGMPZSA-N
XLogP5.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol
CID 3419984
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 17380036
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
1-(4-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 5077829
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
1-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126218213

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine (CID 126217743) is 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine is Brc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine?
The InChIKey is NTWMDPHOUDSPAO-HYARGMPZSA-N. The full InChI is InChI=1S/C20H16BrNO/c21-18-10-6-17(7-11-18)15-23-20-12-8-16(9-13-20)14-22-19-4-2-1-3-5-19/h1-14H,15H2/b22-14+.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine?
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine has a molecular weight of 366.26 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine is sourced from PubChem (CID 126217743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).