(2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane

C16H23N — CID 137454503

IUPAC(2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane
SMILESCc1cc(C)c(C)c(C2C3CCN(C3)[C@@H]2C)c1
InChIInChI=1S/C16H23N/c1-10-7-11(2)12(3)15(8-10)16-13(4)17-6-5-14(16)9-17/h7-8,13-14,16H,5-6,9H2,1-4H3/t13-,14?,16?/m1/s1
InChIKeyXCQIVVSVECBASS-VQCLRJIVSA-N
MW229.37 g/mol
LogP3.42
Rot. Bonds1

About (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane

(2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane (PubChem CID 137454503) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane
PubChem CID137454503
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane
SMILESCc1cc(C)c(C)c(C2C3CCN(C3)[C@@H]2C)c1
InChIInChI=1S/C16H23N/c1-10-7-11(2)12(3)15(8-10)16-13(4)17-6-5-14(16)9-17/h7-8,13-14,16H,5-6,9H2,1-4H3/t13-,14?,16?/m1/s1
InChIKeyXCQIVVSVECBASS-VQCLRJIVSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane (CID 137454503) is (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane is Cc1cc(C)c(C)c(C2C3CCN(C3)[C@@H]2C)c1.
What is the InChIKey of (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is XCQIVVSVECBASS-VQCLRJIVSA-N. The full InChI is InChI=1S/C16H23N/c1-10-7-11(2)12(3)15(8-10)16-13(4)17-6-5-14(16)9-17/h7-8,13-14,16H,5-6,9H2,1-4H3/t13-,14?,16?/m1/s1.
What are the key properties of (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane?
(2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 229.37 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 137454503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).