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

C18H22FNO — CID 83974769

IUPAC2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
SMILESCCOc1ccc(F)cc1C(CN)Cc1ccccc1C
InChIInChI=1S/C18H22FNO/c1-3-21-18-9-8-16(19)11-17(18)15(12-20)10-14-7-5-4-6-13(14)2/h4-9,11,15H,3,10,12,20H2,1-2H3
InChIKeyVJSGLXIROKBMRD-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.82
Rot. Bonds6

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

2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 83974769) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
PubChem CID83974769
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
SMILESCCOc1ccc(F)cc1C(CN)Cc1ccccc1C
InChIInChI=1S/C18H22FNO/c1-3-21-18-9-8-16(19)11-17(18)15(12-20)10-14-7-5-4-6-13(14)2/h4-9,11,15H,3,10,12,20H2,1-2H3
InChIKeyVJSGLXIROKBMRD-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 165410235
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628
2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945
2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83974775
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
CID 83975069
3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974449
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine (CID 83974769) is 2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine is CCOc1ccc(F)cc1C(CN)Cc1ccccc1C.
What is the InChIKey of 2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is VJSGLXIROKBMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-21-18-9-8-16(19)11-17(18)15(12-20)10-14-7-5-4-6-13(14)2/h4-9,11,15H,3,10,12,20H2,1-2H3.
What are the key properties of 2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine?
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 83974769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).