1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine

C16H26FNO2 — CID 114348126

IUPAC1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1C)C(OCC)OCC
InChIInChI=1S/C16H26FNO2/c1-5-18-15(16(19-6-2)20-7-3)11-13-8-9-14(17)10-12(13)4/h8-10,15-16,18H,5-7,11H2,1-4H3
InChIKeyYYUASURNWGQIMN-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.05
Rot. Bonds9

About 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine

1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 114348126) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
PubChem CID114348126
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1C)C(OCC)OCC
InChIInChI=1S/C16H26FNO2/c1-5-18-15(16(19-6-2)20-7-3)11-13-8-9-14(17)10-12(13)4/h8-10,15-16,18H,5-7,11H2,1-4H3
InChIKeyYYUASURNWGQIMN-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-difluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496290
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
3-(2,5-dimethylphenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495019
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
3-(4-bromo-2-fluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495115
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499
1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 104794131
1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116716823
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine (CID 114348126) is 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine is CCNC(Cc1ccc(F)cc1C)C(OCC)OCC.
What is the InChIKey of 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is YYUASURNWGQIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-5-18-15(16(19-6-2)20-7-3)11-13-8-9-14(17)10-12(13)4/h8-10,15-16,18H,5-7,11H2,1-4H3.
What are the key properties of 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 114348126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).