2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline

C21H27N — CID 154982020

IUPAC2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline
SMILESCC1(C)c2ccc(-c3ccccc3N)cc2C(C)(C)C1(C)C
InChIInChI=1S/C21H27N/c1-19(2)16-12-11-14(15-9-7-8-10-18(15)22)13-17(16)20(3,4)21(19,5)6/h7-13H,22H2,1-6H3
InChIKeyVBAHNJMRIFAYGM-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.53
Rot. Bonds1

About 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline

2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline (PubChem CID 154982020) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline.

Molecular Properties

Compound Name2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline
PubChem CID154982020
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline
SMILESCC1(C)c2ccc(-c3ccccc3N)cc2C(C)(C)C1(C)C
InChIInChI=1S/C21H27N/c1-19(2)16-12-11-14(15-9-7-8-10-18(15)22)13-17(16)20(3,4)21(19,5)6/h7-13H,22H2,1-6H3
InChIKeyVBAHNJMRIFAYGM-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
The IUPAC name of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline (CID 154982020) is 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline.
What is the SMILES notation for 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
The canonical SMILES for 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline is CC1(C)c2ccc(-c3ccccc3N)cc2C(C)(C)C1(C)C.
What is the InChIKey of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
The InChIKey is VBAHNJMRIFAYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-19(2)16-12-11-14(15-9-7-8-10-18(15)22)13-17(16)20(3,4)21(19,5)6/h7-13H,22H2,1-6H3.
What are the key properties of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline has a molecular weight of 293.45 g/mol, XLogP of 5.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline is sourced from PubChem (CID 154982020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).