2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine

C16H18FNO — CID 112614778

IUPAC2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1ccccc1F
InChIInChI=1S/C16H18FNO/c1-12-5-4-7-13(9-10-18)16(12)19-11-14-6-2-3-8-15(14)17/h2-8H,9-11,18H2,1H3
InChIKeyPAZFCCNYWJZEJA-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine

2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (PubChem CID 112614778) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
PubChem CID112614778
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1ccccc1F
InChIInChI=1S/C16H18FNO/c1-12-5-4-7-13(9-10-18)16(12)19-11-14-6-2-3-8-15(14)17/h2-8H,9-11,18H2,1H3
InChIKeyPAZFCCNYWJZEJA-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

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Related Compounds

1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide
CID 107108925
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957662
2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957707
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
[4-[(2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933284
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (CID 112614778) is 2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is Cc1cccc(CCN)c1OCc1ccccc1F.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The InChIKey is PAZFCCNYWJZEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-5-4-7-13(9-10-18)16(12)19-11-14-6-2-3-8-15(14)17/h2-8H,9-11,18H2,1H3.
What are the key properties of 2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]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-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 112614778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).