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

C15H21NO — CID 58503455

IUPAC(1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane
SMILESCOCc1ccc(C2C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C15H21NO/c1-17-10-11-2-4-12(5-3-11)13-8-14-6-7-15(9-13)16-14/h2-5,13-16H,6-10H2,1H3/t13?,14-,15+
InChIKeyQDOOAJFYFGJEBX-GOOCMWNKSA-N
MW231.34 g/mol
LogP2.83
Rot. Bonds3

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

(1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane (PubChem CID 58503455) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane
PubChem CID58503455
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane
SMILESCOCc1ccc(C2C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C15H21NO/c1-17-10-11-2-4-12(5-3-11)13-8-14-6-7-15(9-13)16-14/h2-5,13-16H,6-10H2,1H3/t13?,14-,15+
InChIKeyQDOOAJFYFGJEBX-GOOCMWNKSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane (CID 58503455) is (1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane is COCc1ccc(C2C[C@H]3CC[C@@H](C2)N3)cc1.
What is the InChIKey of (1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is QDOOAJFYFGJEBX-GOOCMWNKSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-10-11-2-4-12(5-3-11)13-8-14-6-7-15(9-13)16-14/h2-5,13-16H,6-10H2,1H3/t13?,14-,15+.
What are the key properties of (1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 231.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58503455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).