[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine

C15H15ClFNO — CID 106531191

IUPAC[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine
SMILESCc1cc(Cl)cc(C)c1Oc1cc(F)cc(CN)c1
InChIInChI=1S/C15H15ClFNO/c1-9-3-12(16)4-10(2)15(9)19-14-6-11(8-18)5-13(17)7-14/h3-7H,8,18H2,1-2H3
InChIKeyOYMKCDGCITYJIG-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.35
Rot. Bonds3

About [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine

[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine (PubChem CID 106531191) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine
PubChem CID106531191
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine
SMILESCc1cc(Cl)cc(C)c1Oc1cc(F)cc(CN)c1
InChIInChI=1S/C15H15ClFNO/c1-9-3-12(16)4-10(2)15(9)19-14-6-11(8-18)5-13(17)7-14/h3-7H,8,18H2,1-2H3
InChIKeyOYMKCDGCITYJIG-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

1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531190
[3-(4-bromo-2,5-dichlorophenoxy)-5-fluorophenyl]methanamine
CID 107655084
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
[4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine
CID 113432166
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
CID 102814455
[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
CID 164885137
(3-chloro-5-methoxyphenyl)methanamine
CID 51063718
[3-(aminomethyl)-5-fluorophenoxy]boronic acid
CID 151788480
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583
[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine
CID 106531346
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine (CID 106531191) is [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine is Cc1cc(Cl)cc(C)c1Oc1cc(F)cc(CN)c1.
What is the InChIKey of [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine?
The InChIKey is OYMKCDGCITYJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-3-12(16)4-10(2)15(9)19-14-6-11(8-18)5-13(17)7-14/h3-7H,8,18H2,1-2H3.
What are the key properties of [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine?
[3-(4-chloro-2,6-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 [3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 106531191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).