3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine

C19H23F2NO2 — CID 83975628

IUPAC3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2cc(F)ccc2F)c1OCC
InChIInChI=1S/C19H23F2NO2/c1-3-23-18-7-5-6-13(19(18)24-4-2)10-14(12-22)16-11-15(20)8-9-17(16)21/h5-9,11,14H,3-4,10,12,22H2,1-2H3
InChIKeyHDOUHZDWHFEPPB-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.05
Rot. Bonds8

About 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine

3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine (PubChem CID 83975628) has the molecular formula C19H23F2NO2 and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
PubChem CID83975628
Molecular FormulaC19H23F2NO2
Molecular Weight335.39 g/mol
Exact Mass335.17
IUPAC Name3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2cc(F)ccc2F)c1OCC
InChIInChI=1S/C19H23F2NO2/c1-3-23-18-7-5-6-13(19(18)24-4-2)10-14(12-22)16-11-15(20)8-9-17(16)21/h5-9,11,14H,3-4,10,12,22H2,1-2H3
InChIKeyHDOUHZDWHFEPPB-UHFFFAOYSA-N
XLogP4.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83973596
3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975609
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 112539072

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
The IUPAC name of 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine (CID 83975628) is 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine is CCOc1cccc(CC(CN)c2cc(F)ccc2F)c1OCC.
What is the InChIKey of 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
The InChIKey is HDOUHZDWHFEPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO2/c1-3-23-18-7-5-6-13(19(18)24-4-2)10-14(12-22)16-11-15(20)8-9-17(16)21/h5-9,11,14H,3-4,10,12,22H2,1-2H3.
What are the key properties of 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine has a molecular weight of 335.39 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine is sourced from PubChem (CID 83975628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).