[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine

C17H20FNO — CID 43345550

IUPAC[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(C)c(OCc2ccc(CN)cc2F)c1C
InChIInChI=1S/C17H20FNO/c1-11-4-5-12(2)17(13(11)3)20-10-15-7-6-14(9-19)8-16(15)18/h4-8H,9-10,19H2,1-3H3
InChIKeyGOCXMYYFTNGJFN-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.79
Rot. Bonds4

About [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine

[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine (PubChem CID 43345550) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
PubChem CID43345550
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(C)c(OCc2ccc(CN)cc2F)c1C
InChIInChI=1S/C17H20FNO/c1-11-4-5-12(2)17(13(11)3)20-10-15-7-6-14(9-19)8-16(15)18/h4-8H,9-10,19H2,1-3H3
InChIKeyGOCXMYYFTNGJFN-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
CID 60627093
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909
[4-[(2-chloro-6-fluorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 83050975
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
CID 105350788
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
4-chloro-2-[(2,3,6-trimethylphenoxy)methyl]aniline
CID 79582428
[4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
CID 20987904
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
CID 103289061
[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
CID 60919309

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine (CID 43345550) is [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine is Cc1ccc(C)c(OCc2ccc(CN)cc2F)c1C.
What is the InChIKey of [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine?
The InChIKey is GOCXMYYFTNGJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-4-5-12(2)17(13(11)3)20-10-15-7-6-14(9-19)8-16(15)18/h4-8H,9-10,19H2,1-3H3.
What are the key properties of [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine?
[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine has a molecular weight of 273.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 43345550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).