1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride

C15H21ClFNO — CID 3048231

IUPAC1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
SMILESCOc1ccc(F)c2c1CCCC2N1CCCC1.Cl
InChIInChI=1S/C15H20FNO.ClH/c1-18-14-8-7-12(16)15-11(14)5-4-6-13(15)17-9-2-3-10-17;/h7-8,13H,2-6,9-10H2,1H3;1H
InChIKeyTXGRIMLTBZWLJM-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.73
Rot. Bonds2

About 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride

1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride (PubChem CID 3048231) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
PubChem CID3048231
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
SMILESCOc1ccc(F)c2c1CCCC2N1CCCC1.Cl
InChIInChI=1S/C15H20FNO.ClH/c1-18-14-8-7-12(16)15-11(14)5-4-6-13(15)17-9-2-3-10-17;/h7-8,13H,2-6,9-10H2,1H3;1H
InChIKeyTXGRIMLTBZWLJM-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride?
The IUPAC name of 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride (CID 3048231) is 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride is COc1ccc(F)c2c1CCCC2N1CCCC1.Cl.
What is the InChIKey of 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride?
The InChIKey is TXGRIMLTBZWLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO.ClH/c1-18-14-8-7-12(16)15-11(14)5-4-6-13(15)17-9-2-3-10-17;/h7-8,13H,2-6,9-10H2,1H3;1H.
What are the key properties of 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride?
1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride has a molecular weight of 285.79 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 3048231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).