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

C18H25NO — CID 805312

IUPAC2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
SMILESCC1(C)C[C@@H]2CN(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/t15-,18-/m0/s1
InChIKeyMYMRWGMJQBQKQR-YJBOKZPZSA-N
MW271.40 g/mol
LogP3.66
Rot. Bonds2

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

2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone (PubChem CID 805312) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
PubChem CID805312
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
SMILESCC1(C)C[C@@H]2CN(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/t15-,18-/m0/s1
InChIKeyMYMRWGMJQBQKQR-YJBOKZPZSA-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

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

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Related Compounds

2-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 3154303
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylethanone
CID 66243746
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
benzyl 1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 11345626
N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide
CID 155983948
calcium bis((2S,5R,6R)-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate)
CID 102602517
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethanone
CID 110867856
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 114781637
1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 44514525
1-[6-(2,2-dimethylpropyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-2-phenylethanone
CID 137482604

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone?
The IUPAC name of 2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone (CID 805312) is 2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone is CC1(C)C[C@@H]2CN(C(=O)Cc3ccccc3)[C@@](C)(C2)C1.
What is the InChIKey of 2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone?
The InChIKey is MYMRWGMJQBQKQR-YJBOKZPZSA-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/t15-,18-/m0/s1.
What are the key properties of 2-phenyl-1-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone?
2-phenyl-1-[(1S,5S)-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-[(1S,5S)-3,3,5-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone is sourced from PubChem (CID 805312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).