1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine

C17H20FNO — CID 107716098

IUPAC1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
SMILESCc1cc(C)cc(COc2ccc(C(C)N)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-11-6-12(2)8-14(7-11)10-20-15-4-5-16(13(3)19)17(18)9-15/h4-9,13H,10,19H2,1-3H3
InChIKeyVTMPBGOJVQJSRT-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.04
Rot. Bonds4

About 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine

1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine (PubChem CID 107716098) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
PubChem CID107716098
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
SMILESCc1cc(C)cc(COc2ccc(C(C)N)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-11-6-12(2)8-14(7-11)10-20-15-4-5-16(13(3)19)17(18)9-15/h4-9,13H,10,19H2,1-3H3
InChIKeyVTMPBGOJVQJSRT-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718926
(1R)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718357
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107715801
(1S)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718705
(1R)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718139
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(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-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291
(1S)-1-[4-[(2-chloro-4-methylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718907

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine (CID 107716098) is 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine is Cc1cc(C)cc(COc2ccc(C(C)N)c(F)c2)c1.
What is the InChIKey of 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine?
The InChIKey is VTMPBGOJVQJSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-6-12(2)8-14(7-11)10-20-15-4-5-16(13(3)19)17(18)9-15/h4-9,13H,10,19H2,1-3H3.
What are the key properties of 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine?
1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107716098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).