1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine

C16H16BrNO — CID 50887206

IUPAC1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C16H16BrNO/c1-3-12-4-7-14(8-5-12)18-11-13-6-9-16(19-2)15(17)10-13/h4-11H,3H2,1-2H3/b18-11+
InChIKeyJHNYCINNPGATQC-WOJGMQOQSA-N
MW318.21 g/mol
LogP4.77
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine

1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine (PubChem CID 50887206) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
PubChem CID50887206
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C16H16BrNO/c1-3-12-4-7-14(8-5-12)18-11-13-6-9-16(19-2)15(17)10-13/h4-11H,3H2,1-2H3/b18-11+
InChIKeyJHNYCINNPGATQC-WOJGMQOQSA-N
XLogP4.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.77
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

2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 7326664
2-[2-bromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126219660
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
1-(3,5-dibromo-4-propoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126217272
1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126221363
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
CID 4181314
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
1-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126218213
[2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenyl] 4-chlorobenzenesulfonate
CID 126221604

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine (CID 50887206) is 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine is CCc1ccc(/N=C/c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine?
The InChIKey is JHNYCINNPGATQC-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-3-12-4-7-14(8-5-12)18-11-13-6-9-16(19-2)15(17)10-13/h4-11H,3H2,1-2H3/b18-11+.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine?
1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine has a molecular weight of 318.21 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 50887206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).