N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine

C23H33N — CID 166029248

IUPACN-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine
SMILESCN(CCc1ccccc1-c1ccccc1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H33N/c1-22(2,3)21-15-11-10-14-20(21)19-13-9-8-12-18(19)16-17-24(7)23(4,5)6/h8-15H,16-17H2,1-7H3
InChIKeyQKNPGBTUFGOQTG-UHFFFAOYSA-N
MW323.52 g/mol
LogP5.92
Rot. Bonds4

About N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine

N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine (PubChem CID 166029248) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine
PubChem CID166029248
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC NameN-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine
SMILESCN(CCc1ccccc1-c1ccccc1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H33N/c1-22(2,3)21-15-11-10-14-20(21)19-13-9-8-12-18(19)16-17-24(7)23(4,5)6/h8-15H,16-17H2,1-7H3
InChIKeyQKNPGBTUFGOQTG-UHFFFAOYSA-N
XLogP5.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine (CID 166029248) is N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine is CN(CCc1ccccc1-c1ccccc1C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine?
The InChIKey is QKNPGBTUFGOQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-22(2,3)21-15-11-10-14-20(21)19-13-9-8-12-18(19)16-17-24(7)23(4,5)6/h8-15H,16-17H2,1-7H3.
What are the key properties of N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine?
N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine has a molecular weight of 323.52 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-tert-butylphenyl)phenyl]ethyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 166029248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).