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

C17H19F2NO — CID 91824497

IUPAC2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C17H19F2NO/c1-20(2)11-12-21-17(13-7-9-14(18)10-8-13)15-5-3-4-6-16(15)19/h3-10,17H,11-12H2,1-2H3
InChIKeyZGSVAPHMVNXVJF-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.63
Rot. Bonds6

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

2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine (PubChem CID 91824497) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine
PubChem CID91824497
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C17H19F2NO/c1-20(2)11-12-21-17(13-7-9-14(18)10-8-13)15-5-3-4-6-16(15)19/h3-10,17H,11-12H2,1-2H3
InChIKeyZGSVAPHMVNXVJF-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
CID 67474795
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
1-fluoro-2-[(4-fluorophenyl)-methoxymethyl]benzene
CID 90917681
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 142619268

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine (CID 91824497) is 2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine is CN(C)CCOC(c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine?
The InChIKey is ZGSVAPHMVNXVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-20(2)11-12-21-17(13-7-9-14(18)10-8-13)15-5-3-4-6-16(15)19/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine?
2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 91824497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).