N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine

C22H20BrNO — CID 22483028

IUPACN-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine
SMILESCC(/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H20BrNO/c1-17(20-10-12-21(23)13-11-20)24-15-19-8-5-9-22(14-19)25-16-18-6-3-2-4-7-18/h2-15,17H,16H2,1H3/b24-15+
InChIKeyOTZGWVWVJPNPOF-BUVRLJJBSA-N
MW394.31 g/mol
LogP6.21
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine

N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine (PubChem CID 22483028) has the molecular formula C22H20BrNO and a molecular weight of 394.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine
PubChem CID22483028
Molecular FormulaC22H20BrNO
Molecular Weight394.31 g/mol
Exact Mass393.07
IUPAC NameN-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine
SMILESCC(/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H20BrNO/c1-17(20-10-12-21(23)13-11-20)24-15-19-8-5-9-22(14-19)25-16-18-6-3-2-4-7-18/h2-15,17H,16H2,1H3/b24-15+
InChIKeyOTZGWVWVJPNPOF-BUVRLJJBSA-N
XLogP6.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 56.21
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

N-[1-(3-chlorophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 22483302
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183
(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 2197856
N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126214778
1-methyl-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7728948
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126375359
4-bromo-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516030
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 4128401

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine (CID 22483028) is N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine is CC(/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine?
The InChIKey is OTZGWVWVJPNPOF-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H20BrNO/c1-17(20-10-12-21(23)13-11-20)24-15-19-8-5-9-22(14-19)25-16-18-6-3-2-4-7-18/h2-15,17H,16H2,1H3/b24-15+.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine?
N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine has a molecular weight of 394.31 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 22483028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).