[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine

C16H18FNO — CID 43314321

IUPAC[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
SMILESCc1cc(C)c(C)c(Oc2ccc(F)cc2CN)c1
InChIInChI=1S/C16H18FNO/c1-10-6-11(2)12(3)16(7-10)19-15-5-4-14(17)8-13(15)9-18/h4-8H,9,18H2,1-3H3
InChIKeyLVLLUCNUHXBEHU-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.00
Rot. Bonds3

About [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine

[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine (PubChem CID 43314321) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
PubChem CID43314321
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
SMILESCc1cc(C)c(C)c(Oc2ccc(F)cc2CN)c1
InChIInChI=1S/C16H18FNO/c1-10-6-11(2)12(3)16(7-10)19-15-5-4-14(17)8-13(15)9-18/h4-8H,9,18H2,1-3H3
InChIKeyLVLLUCNUHXBEHU-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine
CID 43118097
[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 63457064
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methanamine
CID 81250797
[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 65338686

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine (CID 43314321) is [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine is Cc1cc(C)c(C)c(Oc2ccc(F)cc2CN)c1.
What is the InChIKey of [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine?
The InChIKey is LVLLUCNUHXBEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-6-11(2)12(3)16(7-10)19-15-5-4-14(17)8-13(15)9-18/h4-8H,9,18H2,1-3H3.
What are the key properties of [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine?
[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine has a molecular weight of 259.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine is sourced from PubChem (CID 43314321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).