2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine

C20H25F2NO2 — CID 112538891

IUPAC2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2ccc(F)c(F)c2)cc1OCC
InChIInChI=1S/C20H25F2NO2/c1-3-9-25-19-8-5-14(11-20(19)24-4-2)10-16(13-23)15-6-7-17(21)18(22)12-15/h5-8,11-12,16H,3-4,9-10,13,23H2,1-2H3
InChIKeyVOYZJSILGMTQLN-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.44
Rot. Bonds9

About 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine

2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine (PubChem CID 112538891) has the molecular formula C20H25F2NO2 and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
PubChem CID112538891
Molecular FormulaC20H25F2NO2
Molecular Weight349.42 g/mol
Exact Mass349.19
IUPAC Name2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2ccc(F)c(F)c2)cc1OCC
InChIInChI=1S/C20H25F2NO2/c1-3-9-25-19-8-5-14(11-20(19)24-4-2)10-16(13-23)15-6-7-17(21)18(22)12-15/h5-8,11-12,16H,3-4,9-10,13,23H2,1-2H3
InChIKeyVOYZJSILGMTQLN-UHFFFAOYSA-N
XLogP4.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine (CID 112538891) is 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine is CCCOc1ccc(CC(CN)c2ccc(F)c(F)c2)cc1OCC.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine?
The InChIKey is VOYZJSILGMTQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO2/c1-3-9-25-19-8-5-14(11-20(19)24-4-2)10-16(13-23)15-6-7-17(21)18(22)12-15/h5-8,11-12,16H,3-4,9-10,13,23H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine?
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine has a molecular weight of 349.42 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 112538891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).