(2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C18H25NO2 — CID 2930201

IUPAC(2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C18H25NO2/c1-17(2)9-13-10-18(3,11-17)12-19(13)16(20)14-7-5-6-8-15(14)21-4/h5-8,13H,9-12H2,1-4H3
InChIKeyUTRVMFKOYIQRGJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.74
Rot. Bonds2

About (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

(2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 2930201) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID2930201
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C18H25NO2/c1-17(2)9-13-10-18(3,11-17)12-19(13)16(20)14-7-5-6-8-15(14)21-4/h5-8,13H,9-12H2,1-4H3
InChIKeyUTRVMFKOYIQRGJ-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 2930201) is (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is COc1ccccc1C(=O)N1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is UTRVMFKOYIQRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-17(2)9-13-10-18(3,11-17)12-19(13)16(20)14-7-5-6-8-15(14)21-4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
(2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 287.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 2930201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).