N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine

C17H18Br2N2O2 — CID 110340975

IUPACN-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine
SMILESCOc1cc(/C=N/N(C)C)cc(Br)c1OCc1ccc(Br)cc1
InChIInChI=1S/C17H18Br2N2O2/c1-21(2)20-10-13-8-15(19)17(16(9-13)22-3)23-11-12-4-6-14(18)7-5-12/h4-10H,11H2,1-3H3/b20-10+
InChIKeyHQIHWPOXOUWBRB-KEBDBYFISA-N
MW442.15 g/mol
LogP4.69
Rot. Bonds6

About N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine

N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine (PubChem CID 110340975) has the molecular formula C17H18Br2N2O2 and a molecular weight of 442.15 g/mol. Its IUPAC name is N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine
PubChem CID110340975
Molecular FormulaC17H18Br2N2O2
Molecular Weight442.15 g/mol
Exact Mass439.97
IUPAC NameN-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine
SMILESCOc1cc(/C=N/N(C)C)cc(Br)c1OCc1ccc(Br)cc1
InChIInChI=1S/C17H18Br2N2O2/c1-21(2)20-10-13-8-15(19)17(16(9-13)22-3)23-11-12-4-6-14(18)7-5-12/h4-10H,11H2,1-3H3/b20-10+
InChIKeyHQIHWPOXOUWBRB-KEBDBYFISA-N
XLogP4.69
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.15
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]methanamine
CID 110340974
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126220707
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 1321073
3-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 4209529
(1R,2S,6R,7R)-4-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 126156337
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
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376797
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395065
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 46738478

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine (CID 110340975) is N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine is COc1cc(/C=N/N(C)C)cc(Br)c1OCc1ccc(Br)cc1.
What is the InChIKey of N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine?
The InChIKey is HQIHWPOXOUWBRB-KEBDBYFISA-N. The full InChI is InChI=1S/C17H18Br2N2O2/c1-21(2)20-10-13-8-15(19)17(16(9-13)22-3)23-11-12-4-6-14(18)7-5-12/h4-10H,11H2,1-3H3/b20-10+.
What are the key properties of N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine?
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine has a molecular weight of 442.15 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110340975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).