1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine

C16H17ClFNO — CID 106531190

IUPAC1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2c(C)cc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClFNO/c1-10-4-13(17)5-11(2)16(10)20-15-7-12(9-19-3)6-14(18)8-15/h4-8,19H,9H2,1-3H3
InChIKeyRKKIQXAIXXHBNL-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.61
Rot. Bonds4

About 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine

1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 106531190) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID106531190
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2c(C)cc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClFNO/c1-10-4-13(17)5-11(2)16(10)20-15-7-12(9-19-3)6-14(18)8-15/h4-8,19H,9H2,1-3H3
InChIKeyRKKIQXAIXXHBNL-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 106531191
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531241
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531179
1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345853
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 106531188
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531226
1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469602
1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106531281

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 106531190) is 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)cc(Oc2c(C)cc(Cl)cc2C)c1.
What is the InChIKey of 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is RKKIQXAIXXHBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-4-13(17)5-11(2)16(10)20-15-7-12(9-19-3)6-14(18)8-15/h4-8,19H,9H2,1-3H3.
What are the key properties of 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106531190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).