2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride

C20H23ClFNO — CID 13316612

IUPAC2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride
SMILESCN(C)CCC1(c2ccccc2F)CCc2ccccc2C1=O.Cl
InChIInChI=1S/C20H22FNO.ClH/c1-22(2)14-13-20(17-9-5-6-10-18(17)21)12-11-15-7-3-4-8-16(15)19(20)23;/h3-10H,11-14H2,1-2H3;1H
InChIKeyGAMRWNRWLVRJGV-UHFFFAOYSA-N
MW347.86 g/mol
LogP4.27
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride

2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride (PubChem CID 13316612) has the molecular formula C20H23ClFNO and a molecular weight of 347.86 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride
PubChem CID13316612
Molecular FormulaC20H23ClFNO
Molecular Weight347.86 g/mol
Exact Mass347.15
IUPAC Name2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride
SMILESCN(C)CCC1(c2ccccc2F)CCc2ccccc2C1=O.Cl
InChIInChI=1S/C20H22FNO.ClH/c1-22(2)14-13-20(17-9-5-6-10-18(17)21)12-11-15-7-3-4-8-16(15)19(20)23;/h3-10H,11-14H2,1-2H3;1H
InChIKeyGAMRWNRWLVRJGV-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride (CID 13316612) is 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride is CN(C)CCC1(c2ccccc2F)CCc2ccccc2C1=O.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride?
The InChIKey is GAMRWNRWLVRJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO.ClH/c1-22(2)14-13-20(17-9-5-6-10-18(17)21)12-11-15-7-3-4-8-16(15)19(20)23;/h3-10H,11-14H2,1-2H3;1H.
What are the key properties of 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride?
2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride has a molecular weight of 347.86 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one;hydrochloride is sourced from PubChem (CID 13316612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).