2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine

C20H26FNO2 — CID 83974775

IUPAC2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCCOc1ccc(F)cc1C(CN)Cc1cccc(OC(C)C)c1
InChIInChI=1S/C20H26FNO2/c1-4-23-20-9-8-17(21)12-19(20)16(13-22)10-15-6-5-7-18(11-15)24-14(2)3/h5-9,11-12,14,16H,4,10,13,22H2,1-3H3
InChIKeyVTMGRHZZCOTMKZ-UHFFFAOYSA-N
MW331.43 g/mol
LogP4.30
Rot. Bonds8

About 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine

2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 83974775) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
PubChem CID83974775
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCCOc1ccc(F)cc1C(CN)Cc1cccc(OC(C)C)c1
InChIInChI=1S/C20H26FNO2/c1-4-23-20-9-8-17(21)12-19(20)16(13-22)10-15-6-5-7-18(11-15)24-14(2)3/h5-9,11-12,14,16H,4,10,13,22H2,1-3H3
InChIKeyVTMGRHZZCOTMKZ-UHFFFAOYSA-N
XLogP4.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975609
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
3-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 112538959
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
3-[3-amino-2-(5-fluoro-2-methoxyphenyl)propyl]benzonitrile
CID 82140996
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine (CID 83974775) is 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine is CCOc1ccc(F)cc1C(CN)Cc1cccc(OC(C)C)c1.
What is the InChIKey of 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is VTMGRHZZCOTMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-4-23-20-9-8-17(21)12-19(20)16(13-22)10-15-6-5-7-18(11-15)24-14(2)3/h5-9,11-12,14,16H,4,10,13,22H2,1-3H3.
What are the key properties of 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine?
2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 331.43 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 83974775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).