1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine

C16H18FNO — CID 107715958

IUPAC1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2ccc(C(C)N)c(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-11-4-3-5-13(8-11)10-19-14-6-7-15(12(2)18)16(17)9-14/h3-9,12H,10,18H2,1-2H3
InChIKeyPITMGGUSXWRTQM-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine

1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 107715958) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID107715958
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2ccc(C(C)N)c(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-11-4-3-5-13(8-11)10-19-14-6-7-15(12(2)18)16(17)9-14/h3-9,12H,10,18H2,1-2H3
InChIKeyPITMGGUSXWRTQM-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107716098
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718926
(1R)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718357
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291
(1S)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718705
1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107715801
(1R)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718139
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine (CID 107715958) is 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine is Cc1cccc(COc2ccc(C(C)N)c(F)c2)c1.
What is the InChIKey of 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is PITMGGUSXWRTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-4-3-5-13(8-11)10-19-14-6-7-15(12(2)18)16(17)9-14/h3-9,12H,10,18H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine?
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107715958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).