N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine

C18H19BrN2O — CID 126075496

IUPACN-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
SMILESCc1cc(N2CCOCC2)ccc1/C=N/c1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c1-14-12-16(21-8-10-22-11-9-21)7-6-15(14)13-20-18-5-3-2-4-17(18)19/h2-7,12-13H,8-11H2,1H3/b20-13+
InChIKeyWHVQDXJJYZNZGN-DEDYPNTBSA-N
MW359.27 g/mol
LogP4.34
Rot. Bonds3

About N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine

N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine (PubChem CID 126075496) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
PubChem CID126075496
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC NameN-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
SMILESCc1cc(N2CCOCC2)ccc1/C=N/c1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c1-14-12-16(21-8-10-22-11-9-21)7-6-15(14)13-20-18-5-3-2-4-17(18)19/h2-7,12-13H,8-11H2,1H3/b20-13+
InChIKeyWHVQDXJJYZNZGN-DEDYPNTBSA-N
XLogP4.34
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
CID 126081286
1-(2-methyl-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
CID 126071092
methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126103179
N-(4-bromo-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126227520
(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazine
CID 168530146
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126246715
(5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1210025
4-[3-bromo-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 163692702
methyl 3-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-2-methylbenzoate
CID 126245106
N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126072075
4-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 4307198
4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 5166404

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine (CID 126075496) is N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine is Cc1cc(N2CCOCC2)ccc1/C=N/c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine?
The InChIKey is WHVQDXJJYZNZGN-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-14-12-16(21-8-10-22-11-9-21)7-6-15(14)13-20-18-5-3-2-4-17(18)19/h2-7,12-13H,8-11H2,1H3/b20-13+.
What are the key properties of N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine?
N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine has a molecular weight of 359.27 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 126075496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).