2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine

C15H15F2NO — CID 107171074

IUPAC2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(CCN)cc2F)cc1F
InChIInChI=1S/C15H15F2NO/c1-10-2-4-12(9-13(10)16)19-15-5-3-11(6-7-18)8-14(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyDTJOHPPSGMIGSK-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.57
Rot. Bonds4

About 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine

2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine (PubChem CID 107171074) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
PubChem CID107171074
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(CCN)cc2F)cc1F
InChIInChI=1S/C15H15F2NO/c1-10-2-4-12(9-13(10)16)19-15-5-3-11(6-7-18)8-14(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyDTJOHPPSGMIGSK-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
CID 107171085
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 63802270
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
3-bromo-4-(3-fluoro-4-methylphenoxy)aniline
CID 107168516
2-[3-(2-fluorophenoxy)-4-methylphenyl]ethanamine
CID 105410974
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
CID 107169699
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63815601
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine (CID 107171074) is 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine is Cc1ccc(Oc2ccc(CCN)cc2F)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine?
The InChIKey is DTJOHPPSGMIGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-2-4-12(9-13(10)16)19-15-5-3-11(6-7-18)8-14(15)17/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine?
2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 107171074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).