1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine

C18H19Br2NO — CID 126214465

IUPAC1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
SMILESCCCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C
InChIInChI=1S/C18H19Br2NO/c1-4-8-22-18-14(9-15(19)10-16(18)20)11-21-17-7-5-6-12(2)13(17)3/h5-7,9-11H,4,8H2,1-3H3/b21-11+
InChIKeyBKQVNSRXOISNBN-SRZZPIQSSA-N
MW425.16 g/mol
LogP6.37
Rot. Bonds5

About 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine

1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine (PubChem CID 126214465) has the molecular formula C18H19Br2NO and a molecular weight of 425.16 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
PubChem CID126214465
Molecular FormulaC18H19Br2NO
Molecular Weight425.16 g/mol
Exact Mass422.98
IUPAC Name1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
SMILESCCCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C
InChIInChI=1S/C18H19Br2NO/c1-4-8-22-18-14(9-15(19)10-16(18)20)11-21-17-7-5-6-12(2)13(17)3/h5-7,9-11H,4,8H2,1-3H3/b21-11+
InChIKeyBKQVNSRXOISNBN-SRZZPIQSSA-N
XLogP6.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.16
LogP ≤ 56.37
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-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126219288
1-[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126206151
1-[3,5-dibromo-2-(2,4-dinitrophenoxy)phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221910
3,5-dibromo-2-propoxybenzaldehyde
CID 2167921
N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline
CID 126126469
2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218655
1-bromo-3-methyl-2-propoxybenzene
CID 58352154
1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214078
1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126209068
1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758
3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334797
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The IUPAC name of 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine (CID 126214465) is 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine.
What is the SMILES notation for 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The canonical SMILES for 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine is CCCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C.
What is the InChIKey of 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The InChIKey is BKQVNSRXOISNBN-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H19Br2NO/c1-4-8-22-18-14(9-15(19)10-16(18)20)11-21-17-7-5-6-12(2)13(17)3/h5-7,9-11H,4,8H2,1-3H3/b21-11+.
What are the key properties of 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine has a molecular weight of 425.16 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 126214465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).