2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol

C22H23NO2 — CID 67427581

IUPAC2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol
SMILESCOc1ccc(N(C)CCO)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H23NO2/c1-23(15-16-24)19-13-14-20(25-2)22(18-11-7-4-8-12-18)21(19)17-9-5-3-6-10-17/h3-14,24H,15-16H2,1-2H3
InChIKeyDWWFVHBVBHQVFA-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.46
Rot. Bonds6

About 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol

2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol (PubChem CID 67427581) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol
PubChem CID67427581
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol
SMILESCOc1ccc(N(C)CCO)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H23NO2/c1-23(15-16-24)19-13-14-20(25-2)22(18-11-7-4-8-12-18)21(19)17-9-5-3-6-10-17/h3-14,24H,15-16H2,1-2H3
InChIKeyDWWFVHBVBHQVFA-UHFFFAOYSA-N
XLogP4.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol?
The IUPAC name of 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol (CID 67427581) is 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol.
What is the SMILES notation for 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol?
The canonical SMILES for 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol is COc1ccc(N(C)CCO)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol?
The InChIKey is DWWFVHBVBHQVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-23(15-16-24)19-13-14-20(25-2)22(18-11-7-4-8-12-18)21(19)17-9-5-3-6-10-17/h3-14,24H,15-16H2,1-2H3.
What are the key properties of 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol?
2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol has a molecular weight of 333.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol is sourced from PubChem (CID 67427581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).