[(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium

C17H19BrFN2O+ — CID 135757967

IUPAC[(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](C/N=C/c1cc(Br)ccc1O)c1cccc(F)c1
InChIInChI=1S/C17H18BrFN2O/c1-21(2)16(12-4-3-5-15(19)9-12)11-20-10-13-8-14(18)6-7-17(13)22/h3-10,16,22H,11H2,1-2H3/p+1/b20-10+/t16-/m0/s1
InChIKeyRESVJOHYVZOIKB-UWSDUSPXSA-O
MW366.25 g/mol
LogP2.60
Rot. Bonds5

About [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium

[(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium (PubChem CID 135757967) has the molecular formula C17H19BrFN2O+ and a molecular weight of 366.25 g/mol. Its IUPAC name is [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium
PubChem CID135757967
Molecular FormulaC17H19BrFN2O+
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name[(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](C/N=C/c1cc(Br)ccc1O)c1cccc(F)c1
InChIInChI=1S/C17H18BrFN2O/c1-21(2)16(12-4-3-5-15(19)9-12)11-20-10-13-8-14(18)6-7-17(13)22/h3-10,16,22H,11H2,1-2H3/p+1/b20-10+/t16-/m0/s1
InChIKeyRESVJOHYVZOIKB-UWSDUSPXSA-O
XLogP2.60
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 135758009
[(1S)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 135596433
2-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757942
4-bromo-2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]iminomethyl]phenol
CID 135758010
[(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium
CID 135758033
4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
CID 136703873
4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
CID 135657334
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597908
[(1S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597912
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium (CID 135757967) is [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium is C[NH+](C)[C@@H](C/N=C/c1cc(Br)ccc1O)c1cccc(F)c1.
What is the InChIKey of [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium?
The InChIKey is RESVJOHYVZOIKB-UWSDUSPXSA-O. The full InChI is InChI=1S/C17H18BrFN2O/c1-21(2)16(12-4-3-5-15(19)9-12)11-20-10-13-8-14(18)6-7-17(13)22/h3-10,16,22H,11H2,1-2H3/p+1/b20-10+/t16-/m0/s1.
What are the key properties of [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium?
[(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium has a molecular weight of 366.25 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium is sourced from PubChem (CID 135757967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).