1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine

C16H17F2NO — CID 116773502

IUPAC1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-2-20-16(11-7-4-3-5-8-11)15(19)12-9-6-10-13(17)14(12)18/h3-10,15-16H,2,19H2,1H3
InChIKeyXDPHSOFDKOVDQR-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.74
Rot. Bonds5

About 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine

1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine (PubChem CID 116773502) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine
PubChem CID116773502
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-2-20-16(11-7-4-3-5-8-11)15(19)12-9-6-10-13(17)14(12)18/h3-10,15-16H,2,19H2,1H3
InChIKeyXDPHSOFDKOVDQR-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2-fluorophenyl)-2-phenylethanamine
CID 116773494
2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-phenylethanamine
CID 116773330
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine
CID 116773344
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine
CID 103395921
1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-2-phenylethanamine
CID 106943100
3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 116757101
ethyl (3S)-3-amino-3-(2,3-difluorophenyl)-2-fluoropropanoate;hydrochloride
CID 171247764
2-amino-1-(2,3-difluorophenyl)-2-phenylethanol
CID 63669574
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115828079
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine (CID 116773502) is 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine is CCOC(c1ccccc1)C(N)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine?
The InChIKey is XDPHSOFDKOVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-20-16(11-7-4-3-5-8-11)15(19)12-9-6-10-13(17)14(12)18/h3-10,15-16H,2,19H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine?
1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine is sourced from PubChem (CID 116773502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).