2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine

C17H20FNO2 — CID 103395921

IUPAC2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1ccc(OC)cc1F
InChIInChI=1S/C17H20FNO2/c1-3-21-17(12-7-5-4-6-8-12)16(19)14-10-9-13(20-2)11-15(14)18/h4-11,16-17H,3,19H2,1-2H3
InChIKeyKVJSFPGDKUJVLR-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.61
Rot. Bonds6

About 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine

2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine (PubChem CID 103395921) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine
PubChem CID103395921
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1ccc(OC)cc1F
InChIInChI=1S/C17H20FNO2/c1-3-21-17(12-7-5-4-6-8-12)16(19)14-10-9-13(20-2)11-15(14)18/h4-11,16-17H,3,19H2,1-2H3
InChIKeyKVJSFPGDKUJVLR-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(2-fluorophenyl)-2-phenylethanamine
CID 116773494
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-phenylethanamine
CID 116773330
1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine
CID 116773502
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine
CID 103395841
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-phenylethanamine
CID 116773344
4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
CID 83909628
(1S,2R)-1-amino-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-2-ol
CID 171161424
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
CID 103395382
3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 103397334

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine?
The IUPAC name of 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine (CID 103395921) is 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine.
What is the SMILES notation for 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine?
The canonical SMILES for 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine is CCOC(c1ccccc1)C(N)c1ccc(OC)cc1F.
What is the InChIKey of 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine?
The InChIKey is KVJSFPGDKUJVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-21-17(12-7-5-4-6-8-12)16(19)14-10-9-13(20-2)11-15(14)18/h4-11,16-17H,3,19H2,1-2H3.
What are the key properties of 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine?
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-phenylethanamine is sourced from PubChem (CID 103395921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).