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

C16H18FNO — CID 107170915

IUPAC2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(OCc2ccccc2CCN)cc1F
InChIInChI=1S/C16H18FNO/c1-12-6-7-15(10-16(12)17)19-11-14-5-3-2-4-13(14)8-9-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyXESTWAHZZGWDMP-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.21
Rot. Bonds5

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

2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine (PubChem CID 107170915) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
PubChem CID107170915
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(OCc2ccccc2CCN)cc1F
InChIInChI=1S/C16H18FNO/c1-12-6-7-15(10-16(12)17)19-11-14-5-3-2-4-13(14)8-9-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyXESTWAHZZGWDMP-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]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-[2-(naphthalen-2-yloxymethyl)phenyl]ethanamine
CID 115464887
2-[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986586
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
4-chloro-2-[(3-fluoro-4-methylphenoxy)methyl]aniline
CID 107168669
2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 107169110
2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
CID 113314859
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine
CID 115493361
2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 115464889

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine (CID 107170915) is 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine is Cc1ccc(OCc2ccccc2CCN)cc1F.
What is the InChIKey of 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is XESTWAHZZGWDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-6-7-15(10-16(12)17)19-11-14-5-3-2-4-13(14)8-9-18/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine?
2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 107170915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).