4-(2,2-diphenylethenoxy)-3-methylaniline

C21H19NO — CID 67943582

IUPAC4-(2,2-diphenylethenoxy)-3-methylaniline
SMILESCc1cc(N)ccc1OC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO/c1-16-14-19(22)12-13-21(16)23-15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,22H2,1H3
InChIKeyYTABREZJOHJFHK-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.05
Rot. Bonds4

About 4-(2,2-diphenylethenoxy)-3-methylaniline

4-(2,2-diphenylethenoxy)-3-methylaniline (PubChem CID 67943582) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(2,2-diphenylethenoxy)-3-methylaniline.

Molecular Properties

Compound Name4-(2,2-diphenylethenoxy)-3-methylaniline
PubChem CID67943582
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name4-(2,2-diphenylethenoxy)-3-methylaniline
SMILESCc1cc(N)ccc1OC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO/c1-16-14-19(22)12-13-21(16)23-15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,22H2,1H3
InChIKeyYTABREZJOHJFHK-UHFFFAOYSA-N
XLogP5.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethenoxy)-3-methylaniline?
The IUPAC name of 4-(2,2-diphenylethenoxy)-3-methylaniline (CID 67943582) is 4-(2,2-diphenylethenoxy)-3-methylaniline.
What is the SMILES notation for 4-(2,2-diphenylethenoxy)-3-methylaniline?
The canonical SMILES for 4-(2,2-diphenylethenoxy)-3-methylaniline is Cc1cc(N)ccc1OC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2,2-diphenylethenoxy)-3-methylaniline?
The InChIKey is YTABREZJOHJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-16-14-19(22)12-13-21(16)23-15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,22H2,1H3.
What are the key properties of 4-(2,2-diphenylethenoxy)-3-methylaniline?
4-(2,2-diphenylethenoxy)-3-methylaniline has a molecular weight of 301.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethenoxy)-3-methylaniline is sourced from PubChem (CID 67943582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).