[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine

C15H15ClFNO — CID 43314373

IUPAC[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
SMILESCc1cc(Oc2ccc(F)cc2CN)cc(C)c1Cl
InChIInChI=1S/C15H15ClFNO/c1-9-5-13(6-10(2)15(9)16)19-14-4-3-12(17)7-11(14)8-18/h3-7H,8,18H2,1-2H3
InChIKeyALJVGYXZUPMILK-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.35
Rot. Bonds3

About [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine

[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine (PubChem CID 43314373) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
PubChem CID43314373
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
SMILESCc1cc(Oc2ccc(F)cc2CN)cc(C)c1Cl
InChIInChI=1S/C15H15ClFNO/c1-9-5-13(6-10(2)15(9)16)19-14-4-3-12(17)7-11(14)8-18/h3-7H,8,18H2,1-2H3
InChIKeyALJVGYXZUPMILK-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031409
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 43314321
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
1-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
CID 43286017
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene
CID 107087711

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine (CID 43314373) is [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine is Cc1cc(Oc2ccc(F)cc2CN)cc(C)c1Cl.
What is the InChIKey of [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine?
The InChIKey is ALJVGYXZUPMILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-5-13(6-10(2)15(9)16)19-14-4-3-12(17)7-11(14)8-18/h3-7H,8,18H2,1-2H3.
What are the key properties of [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine?
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine has a molecular weight of 279.74 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 43314373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).