[(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium

C19H25N2O+ — CID 135758033

IUPAC[(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium
SMILESCCc1ccc([C@H](C/N=C/c2ccccc2O)[NH+](C)C)cc1
InChIInChI=1S/C19H24N2O/c1-4-15-9-11-16(12-10-15)18(21(2)3)14-20-13-17-7-5-6-8-19(17)22/h5-13,18,22H,4,14H2,1-3H3/p+1/b20-13+/t18-/m0/s1
InChIKeyBENDTXBPEMNUCP-ACRNLXFHSA-O
MW297.42 g/mol
LogP2.26
Rot. Bonds6

About [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium

[(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium (PubChem CID 135758033) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium
PubChem CID135758033
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Name[(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium
SMILESCCc1ccc([C@H](C/N=C/c2ccccc2O)[NH+](C)C)cc1
InChIInChI=1S/C19H24N2O/c1-4-15-9-11-16(12-10-15)18(21(2)3)14-20-13-17-7-5-6-8-19(17)22/h5-13,18,22H,4,14H2,1-3H3/p+1/b20-13+/t18-/m0/s1
InChIKeyBENDTXBPEMNUCP-ACRNLXFHSA-O
XLogP2.26
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.26
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-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 135596433
[(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium
CID 135757967
2-[[(2R)-2-[(2-hydroxyphenyl)methylideneamino]-2-phenylethyl]iminomethyl]phenol
CID 136694430
[(1S)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 135758009
2-[(4-methylphenyl)methyliminomethyl]phenol
CID 135657309
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597908
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
cobalt(3+);1-[(2-hydroxyphenyl)methylideneamino]propan-2-ylazanide;2-[(2-hydroxyphenyl)methylideneamino]propylazanide
CID 5255651
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium?
The IUPAC name of [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium (CID 135758033) is [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium is CCc1ccc([C@H](C/N=C/c2ccccc2O)[NH+](C)C)cc1.
What is the InChIKey of [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium?
The InChIKey is BENDTXBPEMNUCP-ACRNLXFHSA-O. The full InChI is InChI=1S/C19H24N2O/c1-4-15-9-11-16(12-10-15)18(21(2)3)14-20-13-17-7-5-6-8-19(17)22/h5-13,18,22H,4,14H2,1-3H3/p+1/b20-13+/t18-/m0/s1.
What are the key properties of [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium?
[(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium has a molecular weight of 297.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]-dimethylazanium is sourced from PubChem (CID 135758033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).