(1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride

C16H23ClFNO2 — CID 68676038

IUPAC(1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOCC1(OCc2ccccc2F)C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C16H22FNO2.ClH/c1-19-11-16(8-13-6-7-14(9-16)18-13)20-10-12-4-2-3-5-15(12)17;/h2-5,13-14,18H,6-11H2,1H3;1H/t13-,14+,16?;
InChIKeyIUWOSSHSHBKYLC-DNCNHEBUSA-N
MW315.82 g/mol
LogP3.06
Rot. Bonds5

About (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride

(1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 68676038) has the molecular formula C16H23ClFNO2 and a molecular weight of 315.82 g/mol. Its IUPAC name is (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID68676038
Molecular FormulaC16H23ClFNO2
Molecular Weight315.82 g/mol
Exact Mass315.14
IUPAC Name(1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOCC1(OCc2ccccc2F)C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C16H22FNO2.ClH/c1-19-11-16(8-13-6-7-14(9-16)18-13)20-10-12-4-2-3-5-15(12)17;/h2-5,13-14,18H,6-11H2,1H3;1H/t13-,14+,16?;
InChIKeyIUWOSSHSHBKYLC-DNCNHEBUSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride (CID 68676038) is (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride is COCC1(OCc2ccccc2F)C[C@H]2CC[C@@H](C1)N2.Cl.
What is the InChIKey of (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is IUWOSSHSHBKYLC-DNCNHEBUSA-N. The full InChI is InChI=1S/C16H22FNO2.ClH/c1-19-11-16(8-13-6-7-14(9-16)18-13)20-10-12-4-2-3-5-15(12)17;/h2-5,13-14,18H,6-11H2,1H3;1H/t13-,14+,16?;.
What are the key properties of (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
(1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 68676038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).