N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline

C23H21NO — CID 87969079

IUPACN-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline
SMILESCc1ccccc1NOCc1ccccc1C1C=Cc2ccccc21
InChIInChI=1S/C23H21NO/c1-17-8-2-7-13-23(17)24-25-16-19-10-4-6-12-21(19)22-15-14-18-9-3-5-11-20(18)22/h2-15,22,24H,16H2,1H3
InChIKeyUEKRPOXMULOUIW-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.70
Rot. Bonds5

About N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline

N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline (PubChem CID 87969079) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline.

Molecular Properties

Compound NameN-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline
PubChem CID87969079
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC NameN-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline
SMILESCc1ccccc1NOCc1ccccc1C1C=Cc2ccccc21
InChIInChI=1S/C23H21NO/c1-17-8-2-7-13-23(17)24-25-16-19-10-4-6-12-21(19)22-15-14-18-9-3-5-11-20(18)22/h2-15,22,24H,16H2,1H3
InChIKeyUEKRPOXMULOUIW-UHFFFAOYSA-N
XLogP5.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline?
The IUPAC name of N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline (CID 87969079) is N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline.
What is the SMILES notation for N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline?
The canonical SMILES for N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline is Cc1ccccc1NOCc1ccccc1C1C=Cc2ccccc21.
What is the InChIKey of N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline?
The InChIKey is UEKRPOXMULOUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-17-8-2-7-13-23(17)24-25-16-19-10-4-6-12-21(19)22-15-14-18-9-3-5-11-20(18)22/h2-15,22,24H,16H2,1H3.
What are the key properties of N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline?
N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline has a molecular weight of 327.43 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-inden-1-yl)phenyl]methoxy]-2-methylaniline is sourced from PubChem (CID 87969079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).