(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine

C15H14BrNO — CID 71724198

IUPAC(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO/c1-12(14-7-9-15(16)10-8-14)17-18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/b17-12+
InChIKeyNJHZALWUNOTDSC-SFQUDFHCSA-N
MW304.19 g/mol
LogP4.39
Rot. Bonds4

About (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine

(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine (PubChem CID 71724198) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
PubChem CID71724198
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO/c1-12(14-7-9-15(16)10-8-14)17-18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/b17-12+
InChIKeyNJHZALWUNOTDSC-SFQUDFHCSA-N
XLogP4.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
4-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 46566994
1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine
CID 2826848
(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
CID 42935131
benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate
CID 146162369
2-methyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 18388799
methyl N-[2-[[1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbonylcarbamate
CID 54110696
2-[3-[4-[(E)-C-methyl-N-[(4-phenylphenyl)methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 59219180
3-(C-methyl-N-phenylmethoxycarbonimidoyl)benzonitrile
CID 73433324
3-(C-methyl-N-phenylmethoxycarbonimidoyl)benzaldehyde
CID 73433317
2-amino-2-[2-[4-[(E)-C-methyl-N-[(4-phenylphenyl)methoxy]carbonimidoyl]phenyl]ethyl]propane-1,3-diol
CID 58932623
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine?
The IUPAC name of (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine (CID 71724198) is (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine.
What is the SMILES notation for (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine?
The canonical SMILES for (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine is C/C(=N\OCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine?
The InChIKey is NJHZALWUNOTDSC-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-12(14-7-9-15(16)10-8-14)17-18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/b17-12+.
What are the key properties of (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine?
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine has a molecular weight of 304.19 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine is sourced from PubChem (CID 71724198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).