1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine

C17H19F2NO — CID 116773344

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H19F2NO/c1-3-21-17(12-7-5-4-6-8-12)16(20)14-13(18)10-9-11(2)15(14)19/h4-10,16-17H,3,20H2,1-2H3
InChIKeyZANZCSNSWIGYNF-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.05
Rot. Bonds5

About 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine

1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine (PubChem CID 116773344) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine
PubChem CID116773344
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H19F2NO/c1-3-21-17(12-7-5-4-6-8-12)16(20)14-13(18)10-9-11(2)15(14)19/h4-10,16-17H,3,20H2,1-2H3
InChIKeyZANZCSNSWIGYNF-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-2-phenylethanamine
CID 106943100
1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine
CID 82823295
2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-phenylethanamine
CID 116773330
2-ethoxy-1-(2-fluorophenyl)-2-phenylethanamine
CID 116773494
1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine
CID 116773502
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine
CID 103395921
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
1-(2,6-difluoro-3-methylphenyl)-2,2-diethoxyethanol
CID 82822285
1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757203
[1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethyl]hydrazine
CID 105279283
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine (CID 116773344) is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine is CCOC(c1ccccc1)C(N)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine?
The InChIKey is ZANZCSNSWIGYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-21-17(12-7-5-4-6-8-12)16(20)14-13(18)10-9-11(2)15(14)19/h4-10,16-17H,3,20H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine?
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.05, 5 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-ethoxy-2-phenylethanamine is sourced from PubChem (CID 116773344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).