(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane

C14H19N — CID 58503490

IUPAC(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(C2C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C14H19N/c1-10-2-4-11(5-3-10)12-8-13-6-7-14(9-12)15-13/h2-5,12-15H,6-9H2,1H3/t12?,13-,14+
InChIKeyCUYHIZSVDTVZAF-AGUYFDCRSA-N
MW201.31 g/mol
LogP2.99
Rot. Bonds1

About (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane

(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 58503490) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
PubChem CID58503490
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(C2C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C14H19N/c1-10-2-4-11(5-3-10)12-8-13-6-7-14(9-12)15-13/h2-5,12-15H,6-9H2,1H3/t12?,13-,14+
InChIKeyCUYHIZSVDTVZAF-AGUYFDCRSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane (CID 58503490) is (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane is Cc1ccc(C2C[C@H]3CC[C@@H](C2)N3)cc1.
What is the InChIKey of (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is CUYHIZSVDTVZAF-AGUYFDCRSA-N. The full InChI is InChI=1S/C14H19N/c1-10-2-4-11(5-3-10)12-8-13-6-7-14(9-12)15-13/h2-5,12-15H,6-9H2,1H3/t12?,13-,14+.
What are the key properties of (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 201.31 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58503490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).