3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride

C20H21ClFNO — CID 139758183

IUPAC3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride
SMILESCN(C)C(Cc1ccc2cccc(F)c2c1)c1cccc(O)c1.Cl
InChIInChI=1S/C20H20FNO.ClH/c1-22(2)20(16-6-3-7-17(23)13-16)12-14-9-10-15-5-4-8-19(21)18(15)11-14;/h3-11,13,20,23H,12H2,1-2H3;1H
InChIKeyFOHIWAKKBPMCQY-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.95
Rot. Bonds4

About 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride

3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride (PubChem CID 139758183) has the molecular formula C20H21ClFNO and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride
PubChem CID139758183
Molecular FormulaC20H21ClFNO
Molecular Weight345.85 g/mol
Exact Mass345.13
IUPAC Name3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride
SMILESCN(C)C(Cc1ccc2cccc(F)c2c1)c1cccc(O)c1.Cl
InChIInChI=1S/C20H20FNO.ClH/c1-22(2)20(16-6-3-7-17(23)13-16)12-14-9-10-15-5-4-8-19(21)18(15)11-14;/h3-11,13,20,23H,12H2,1-2H3;1H
InChIKeyFOHIWAKKBPMCQY-UHFFFAOYSA-N
XLogP4.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride?
The IUPAC name of 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride (CID 139758183) is 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride.
What is the SMILES notation for 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride?
The canonical SMILES for 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride is CN(C)C(Cc1ccc2cccc(F)c2c1)c1cccc(O)c1.Cl.
What is the InChIKey of 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride?
The InChIKey is FOHIWAKKBPMCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO.ClH/c1-22(2)20(16-6-3-7-17(23)13-16)12-14-9-10-15-5-4-8-19(21)18(15)11-14;/h3-11,13,20,23H,12H2,1-2H3;1H.
What are the key properties of 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride?
3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride is sourced from PubChem (CID 139758183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).