2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride

C17H20ClF2NO — CID 13354011

IUPAC2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H19F2NO.ClH/c1-20(2)11-12-21-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14;/h3-10,17H,11-12H2,1-2H3;1H
InChIKeyIPOWAGCCFXHFAD-UHFFFAOYSA-N
MW327.80 g/mol
LogP4.05
Rot. Bonds6

About 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride

2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride (PubChem CID 13354011) has the molecular formula C17H20ClF2NO and a molecular weight of 327.80 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
PubChem CID13354011
Molecular FormulaC17H20ClF2NO
Molecular Weight327.80 g/mol
Exact Mass327.12
IUPAC Name2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H19F2NO.ClH/c1-20(2)11-12-21-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14;/h3-10,17H,11-12H2,1-2H3;1H
InChIKeyIPOWAGCCFXHFAD-UHFFFAOYSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride (CID 13354011) is 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride is CN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride?
The InChIKey is IPOWAGCCFXHFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO.ClH/c1-20(2)11-12-21-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14;/h3-10,17H,11-12H2,1-2H3;1H.
What are the key properties of 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride?
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride has a molecular weight of 327.80 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 13354011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).