2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine

C16H18FNO — CID 107656247

IUPAC2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)Oc2cccc(C)c2F)c1
InChIInChI=1S/C16H18FNO/c1-11-5-3-7-13(9-11)15(10-18)19-14-8-4-6-12(2)16(14)17/h3-9,15H,10,18H2,1-2H3
InChIKeyNHZJPIUUSLBIHD-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.52
Rot. Bonds4

About 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine

2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine (PubChem CID 107656247) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
PubChem CID107656247
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)Oc2cccc(C)c2F)c1
InChIInChI=1S/C16H18FNO/c1-11-5-3-7-13(9-11)15(10-18)19-14-8-4-6-12(2)16(14)17/h3-9,15H,10,18H2,1-2H3
InChIKeyNHZJPIUUSLBIHD-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020668
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(2-fluoro-5-methylphenoxy)-2-phenylethanamine
CID 64854414
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 55020254
2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine
CID 115492332
2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107663903
2-(2,6-dimethylphenoxy)-2-(3,4-dimethylphenyl)ethanamine
CID 82045161
2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 55017955

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine (CID 107656247) is 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine is Cc1cccc(C(CN)Oc2cccc(C)c2F)c1.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine?
The InChIKey is NHZJPIUUSLBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-5-3-7-13(9-11)15(10-18)19-14-8-4-6-12(2)16(14)17/h3-9,15H,10,18H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine?
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 107656247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).