2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

C18H25NO — CID 2928016

IUPAC2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1(C)CC2CN(C(=O)Cc3ccccc3)C(C)(C2)C1
InChIInChI=1S/C18H25NO/c1-17(2)10-15-11-18(3,13-17)19(12-15)16(20)9-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyMYMRWGMJQBQKQR-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.66
Rot. Bonds2

About 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (PubChem CID 2928016) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
PubChem CID2928016
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1(C)CC2CN(C(=O)Cc3ccccc3)C(C)(C2)C1
InChIInChI=1S/C18H25NO/c1-17(2)10-15-11-18(3,13-17)19(12-15)16(20)9-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyMYMRWGMJQBQKQR-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The IUPAC name of 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (CID 2928016) is 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is CC1(C)CC2CN(C(=O)Cc3ccccc3)C(C)(C2)C1.
What is the InChIKey of 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The InChIKey is MYMRWGMJQBQKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-17(2)10-15-11-18(3,13-17)19(12-15)16(20)9-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3.
What are the key properties of 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone has a molecular weight of 271.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is sourced from PubChem (CID 2928016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).