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

C16H18FNO — CID 107171085

IUPAC2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
SMILESCc1ccc(Oc2cc(CCN)ccc2C)cc1F
InChIInChI=1S/C16H18FNO/c1-11-4-6-14(10-15(11)17)19-16-9-13(7-8-18)5-3-12(16)2/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyIEMXRISVYDERMH-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.74
Rot. Bonds4

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

2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine (PubChem CID 107171085) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
PubChem CID107171085
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
SMILESCc1ccc(Oc2cc(CCN)ccc2C)cc1F
InChIInChI=1S/C16H18FNO/c1-11-4-6-14(10-15(11)17)19-16-9-13(7-8-18)5-3-12(16)2/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyIEMXRISVYDERMH-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107171074
2-[3-(2-fluorophenoxy)-4-methylphenyl]ethanamine
CID 105410974
N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 107169882
2-(4-methyl-3-quinolin-7-yloxyphenyl)ethanamine
CID 107315468
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
1-[3-(3,4-difluorophenoxy)-4-methylphenyl]butan-2-amine
CID 105411167
[5-(2-aminoethyl)-2-methylphenoxy]methanetriamine
CID 163516444
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 63802270
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
3-bromo-4-(3-fluoro-4-methylphenoxy)aniline
CID 107168516
[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine?
The IUPAC name of 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine (CID 107171085) is 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine?
The canonical SMILES for 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine is Cc1ccc(Oc2cc(CCN)ccc2C)cc1F.
What is the InChIKey of 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine?
The InChIKey is IEMXRISVYDERMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-4-6-14(10-15(11)17)19-16-9-13(7-8-18)5-3-12(16)2/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine?
2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine is sourced from PubChem (CID 107171085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).