3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine

C18H22FNO2 — CID 83973795

IUPAC3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESCCOc1c(CC(CN)c2ccc(F)cc2)cccc1OC
InChIInChI=1S/C18H22FNO2/c1-3-22-18-14(5-4-6-17(18)21-2)11-15(12-20)13-7-9-16(19)10-8-13/h4-10,15H,3,11-12,20H2,1-2H3
InChIKeyIAZPBRMKWVEGBN-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.52
Rot. Bonds7

About 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine

3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine (PubChem CID 83973795) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
PubChem CID83973795
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
SMILESCCOc1c(CC(CN)c2ccc(F)cc2)cccc1OC
InChIInChI=1S/C18H22FNO2/c1-3-22-18-14(5-4-6-17(18)21-2)11-15(12-20)13-7-9-16(19)10-8-13/h4-10,15H,3,11-12,20H2,1-2H3
InChIKeyIAZPBRMKWVEGBN-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
CID 82160370
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine (CID 83973795) is 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine is CCOc1c(CC(CN)c2ccc(F)cc2)cccc1OC.
What is the InChIKey of 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is IAZPBRMKWVEGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-3-22-18-14(5-4-6-17(18)21-2)11-15(12-20)13-7-9-16(19)10-8-13/h4-10,15H,3,11-12,20H2,1-2H3.
What are the key properties of 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine?
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 303.38 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83973795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).