N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine

C20H24N2O2 — CID 91667508

IUPACN,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine
SMILESCc1ccc(C2COc3ccccc3/C2=N/OCCN(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-15-8-10-16(11-9-15)18-14-23-19-7-5-4-6-17(19)20(18)21-24-13-12-22(2)3/h4-11,18H,12-14H2,1-3H3/b21-20-
InChIKeyYJLUEUWGBBBEHK-MRCUWXFGSA-N
MW324.42 g/mol
LogP3.45
Rot. Bonds5

About N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine

N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine (PubChem CID 91667508) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine
PubChem CID91667508
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine
SMILESCc1ccc(C2COc3ccccc3/C2=N/OCCN(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-15-8-10-16(11-9-15)18-14-23-19-7-5-4-6-17(19)20(18)21-24-13-12-22(2)3/h4-11,18H,12-14H2,1-3H3/b21-20-
InChIKeyYJLUEUWGBBBEHK-MRCUWXFGSA-N
XLogP3.45
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine (CID 91667508) is N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine is Cc1ccc(C2COc3ccccc3/C2=N/OCCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine?
The InChIKey is YJLUEUWGBBBEHK-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-10-16(11-9-15)18-14-23-19-7-5-4-6-17(19)20(18)21-24-13-12-22(2)3/h4-11,18H,12-14H2,1-3H3/b21-20-.
What are the key properties of N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine?
N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine has a molecular weight of 324.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(E)-[3-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine is sourced from PubChem (CID 91667508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).