2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane

C15H20 — CID 101152696

IUPAC2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane
SMILES[2H]C(CC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C15H20/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,13-15H,6-11H2/i6D
InChIKeyWYQMEPLEFAWJAQ-RAMDWTOOSA-N
MW201.33 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane

2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane (PubChem CID 101152696) has the molecular formula C15H20 and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane
PubChem CID101152696
Molecular FormulaC15H20
Molecular Weight201.33 g/mol
Exact Mass201.16
IUPAC Name2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane
SMILES[2H]C(CC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C15H20/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,13-15H,6-11H2/i6D
InChIKeyWYQMEPLEFAWJAQ-RAMDWTOOSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-phenylthiourea
CID 40547896
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylthiourea
CID 18530094
2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine
CID 79557833
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dihydroinden-2-ol
CID 79558173
(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629
(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane
CID 71507650
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 102451232
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124

Frequently Asked Questions

What is the IUPAC name of 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane (CID 101152696) is 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane is [2H]C(CC1CC2CCC1C2)c1ccccc1.
What is the InChIKey of 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane?
The InChIKey is WYQMEPLEFAWJAQ-RAMDWTOOSA-N. The full InChI is InChI=1S/C15H20/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,13-15H,6-11H2/i6D.
What are the key properties of 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane?
2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane has a molecular weight of 201.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuterio-2-phenylethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 101152696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).