2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine

C21H25N — CID 20642460

IUPAC2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine
SMILESCC(C)(N)C(C)(C)C1=C(c2ccccc2)Cc2ccccc21
InChIInChI=1S/C21H25N/c1-20(2,21(3,4)22)19-17-13-9-8-12-16(17)14-18(19)15-10-6-5-7-11-15/h5-13H,14,22H2,1-4H3
InChIKeyAVZUQPSOMYLLJN-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.92
Rot. Bonds3

About 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine

2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine (PubChem CID 20642460) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine
PubChem CID20642460
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine
SMILESCC(C)(N)C(C)(C)C1=C(c2ccccc2)Cc2ccccc21
InChIInChI=1S/C21H25N/c1-20(2,21(3,4)22)19-17-13-9-8-12-16(17)14-18(19)15-10-6-5-7-11-15/h5-13H,14,22H2,1-4H3
InChIKeyAVZUQPSOMYLLJN-UHFFFAOYSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine (CID 20642460) is 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine is CC(C)(N)C(C)(C)C1=C(c2ccccc2)Cc2ccccc21.
What is the InChIKey of 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine?
The InChIKey is AVZUQPSOMYLLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-20(2,21(3,4)22)19-17-13-9-8-12-16(17)14-18(19)15-10-6-5-7-11-15/h5-13H,14,22H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine?
2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(2-phenyl-3H-inden-1-yl)butan-2-amine is sourced from PubChem (CID 20642460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).