[2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium

C21H30N3O+ — CID 135829092

IUPAC[2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium
SMILESCCN(CC)c1ccc(/C=N/Cc2ccccc2C[NH+](C)C)c(O)c1
InChIInChI=1S/C21H29N3O/c1-5-24(6-2)20-12-11-18(21(25)13-20)15-22-14-17-9-7-8-10-19(17)16-23(3)4/h7-13,15,25H,5-6,14,16H2,1-4H3/p+1/b22-15+
InChIKeyGNOUMOIOTCEEJZ-PXLXIMEGSA-O
MW340.49 g/mol
LogP2.50
Rot. Bonds8

About [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium

[2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 135829092) has the molecular formula C21H30N3O+ and a molecular weight of 340.49 g/mol. Its IUPAC name is [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium
PubChem CID135829092
Molecular FormulaC21H30N3O+
Molecular Weight340.49 g/mol
Exact Mass340.24
IUPAC Name[2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium
SMILESCCN(CC)c1ccc(/C=N/Cc2ccccc2C[NH+](C)C)c(O)c1
InChIInChI=1S/C21H29N3O/c1-5-24(6-2)20-12-11-18(21(25)13-20)15-22-14-17-9-7-8-10-19(17)16-23(3)4/h7-13,15,25H,5-6,14,16H2,1-4H3/p+1/b22-15+
InChIKeyGNOUMOIOTCEEJZ-PXLXIMEGSA-O
XLogP2.50
TPSA40.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium (CID 135829092) is [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium is CCN(CC)c1ccc(/C=N/Cc2ccccc2C[NH+](C)C)c(O)c1.
What is the InChIKey of [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is GNOUMOIOTCEEJZ-PXLXIMEGSA-O. The full InChI is InChI=1S/C21H29N3O/c1-5-24(6-2)20-12-11-18(21(25)13-20)15-22-14-17-9-7-8-10-19(17)16-23(3)4/h7-13,15,25H,5-6,14,16H2,1-4H3/p+1/b22-15+.
What are the key properties of [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium?
[2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 340.49 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 135829092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).