(2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane

C14H19N — CID 137454235

IUPAC(2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ccccc1C1C2CCN(C2)[C@@H]1C
InChIInChI=1S/C14H19N/c1-10-5-3-4-6-13(10)14-11(2)15-8-7-12(14)9-15/h3-6,11-12,14H,7-9H2,1-2H3/t11-,12?,14?/m1/s1
InChIKeyVWLMBZCZXJVYEP-LKSINWNRSA-N
MW201.31 g/mol
LogP2.80
Rot. Bonds1

About (2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane

(2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane (PubChem CID 137454235) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane
PubChem CID137454235
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ccccc1C1C2CCN(C2)[C@@H]1C
InChIInChI=1S/C14H19N/c1-10-5-3-4-6-13(10)14-11(2)15-8-7-12(14)9-15/h3-6,11-12,14H,7-9H2,1-2H3/t11-,12?,14?/m1/s1
InChIKeyVWLMBZCZXJVYEP-LKSINWNRSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.80
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-methylphenyl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane (CID 137454235) is (2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane is Cc1ccccc1C1C2CCN(C2)[C@@H]1C.
What is the InChIKey of (2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is VWLMBZCZXJVYEP-LKSINWNRSA-N. The full InChI is InChI=1S/C14H19N/c1-10-5-3-4-6-13(10)14-11(2)15-8-7-12(14)9-15/h3-6,11-12,14H,7-9H2,1-2H3/t11-,12?,14?/m1/s1.
What are the key properties of (2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane?
(2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 201.31 g/mol, XLogP of 2.80, 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-methylphenyl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 137454235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).