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

C16H26FNO3 — CID 104794131

IUPAC1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(OC)c1F)C(OCC)OCC
InChIInChI=1S/C16H26FNO3/c1-5-18-13(16(20-6-2)21-7-3)11-12-9-8-10-14(19-4)15(12)17/h8-10,13,16,18H,5-7,11H2,1-4H3
InChIKeyNSYVTHDIIFOBTH-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.75
Rot. Bonds10

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

1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine (PubChem CID 104794131) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
PubChem CID104794131
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(OC)c1F)C(OCC)OCC
InChIInChI=1S/C16H26FNO3/c1-5-18-13(16(20-6-2)21-7-3)11-12-9-8-10-14(19-4)15(12)17/h8-10,13,16,18H,5-7,11H2,1-4H3
InChIKeyNSYVTHDIIFOBTH-UHFFFAOYSA-N
XLogP2.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
CID 116725535
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912
3-(2,4-difluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496290
1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114348126
[1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-yl]hydrazine
CID 105219814
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116721401
1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine
CID 105035513
1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 105035410
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 104793780
3-(4-bromo-2-fluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495115

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine (CID 104794131) is 1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine is CCNC(Cc1cccc(OC)c1F)C(OCC)OCC.
What is the InChIKey of 1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine?
The InChIKey is NSYVTHDIIFOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-5-18-13(16(20-6-2)21-7-3)11-12-9-8-10-14(19-4)15(12)17/h8-10,13,16,18H,5-7,11H2,1-4H3.
What are the key properties of 1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine?
1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine has a molecular weight of 299.39 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 104794131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).