1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine

C15H15F2NO — CID 82822133

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
SMILESCc1ccc(F)c(C(N)COc2ccccc2)c1F
InChIInChI=1S/C15H15F2NO/c1-10-7-8-12(16)14(15(10)17)13(18)9-19-11-5-3-2-4-6-11/h2-8,13H,9,18H2,1H3
InChIKeyPGUHWSGUMDODBG-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.35
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine

1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine (PubChem CID 82822133) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
PubChem CID82822133
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
SMILESCc1ccc(F)c(C(N)COc2ccccc2)c1F
InChIInChI=1S/C15H15F2NO/c1-10-7-8-12(16)14(15(10)17)13(18)9-19-11-5-3-2-4-6-11/h2-8,13H,9,18H2,1H3
InChIKeyPGUHWSGUMDODBG-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-phenoxyethanamine
CID 106942398
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
CID 82822872
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
CID 16794540
1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 82814680
1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene
CID 174488029
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515309
1-(2,6-difluoro-3-methylphenyl)but-3-yn-1-amine
CID 114977890
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine (CID 82822133) is 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine is Cc1ccc(F)c(C(N)COc2ccccc2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine?
The InChIKey is PGUHWSGUMDODBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-7-8-12(16)14(15(10)17)13(18)9-19-11-5-3-2-4-6-11/h2-8,13H,9,18H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine?
1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine is sourced from PubChem (CID 82822133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).