[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium

C19H25N2O2+ — CID 135758068

IUPAC[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium
SMILESCOc1ccc(O)c(/C=N/C[C@H](Cc2ccccc2)[NH+](C)C)c1
InChIInChI=1S/C19H24N2O2/c1-21(2)17(11-15-7-5-4-6-8-15)14-20-13-16-12-18(23-3)9-10-19(16)22/h4-10,12-13,17,22H,11,14H2,1-3H3/p+1/b20-13+/t17-/m0/s1
InChIKeyLMEPVUVLADWWMP-NNIWKIFQSA-O
MW313.42 g/mol
LogP1.58
Rot. Bonds7

About [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium

[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium (PubChem CID 135758068) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium.

Molecular Properties

Compound Name[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium
PubChem CID135758068
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium
SMILESCOc1ccc(O)c(/C=N/C[C@H](Cc2ccccc2)[NH+](C)C)c1
InChIInChI=1S/C19H24N2O2/c1-21(2)17(11-15-7-5-4-6-8-15)14-20-13-16-12-18(23-3)9-10-19(16)22/h4-10,12-13,17,22H,11,14H2,1-3H3/p+1/b20-13+/t17-/m0/s1
InChIKeyLMEPVUVLADWWMP-NNIWKIFQSA-O
XLogP1.58
TPSA46.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597912
2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol
CID 135758257
[(1S)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 135596433
2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757984
[(1S)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 135758009
2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757942
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium?
The IUPAC name of [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium (CID 135758068) is [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium.
What is the SMILES notation for [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium?
The canonical SMILES for [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium is COc1ccc(O)c(/C=N/C[C@H](Cc2ccccc2)[NH+](C)C)c1.
What is the InChIKey of [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium?
The InChIKey is LMEPVUVLADWWMP-NNIWKIFQSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-21(2)17(11-15-7-5-4-6-8-15)14-20-13-16-12-18(23-3)9-10-19(16)22/h4-10,12-13,17,22H,11,14H2,1-3H3/p+1/b20-13+/t17-/m0/s1.
What are the key properties of [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium?
[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium has a molecular weight of 313.42 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium is sourced from PubChem (CID 135758068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).