2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine

C15H24FNO3 — CID 79495027

IUPAC2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)C(OCC)OCC
InChIInChI=1S/C15H24FNO3/c1-5-17-14(15(19-6-2)20-7-3)11-8-9-13(18-4)12(16)10-11/h8-10,14-15,17H,5-7H2,1-4H3
InChIKeyBLDYNOZDWYSHKT-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.88
Rot. Bonds9

About 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine

2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 79495027) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID79495027
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)C(OCC)OCC
InChIInChI=1S/C15H24FNO3/c1-5-17-14(15(19-6-2)20-7-3)11-8-9-13(18-4)12(16)10-11/h8-10,14-15,17H,5-7H2,1-4H3
InChIKeyBLDYNOZDWYSHKT-UHFFFAOYSA-N
XLogP2.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.88
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

N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044550
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
CID 79617446
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 95001932
3-(ethylamino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 65233760
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 79495401

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 79495027) is 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine is CCNC(c1ccc(OC)c(F)c1)C(OCC)OCC.
What is the InChIKey of 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is BLDYNOZDWYSHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-5-17-14(15(19-6-2)20-7-3)11-8-9-13(18-4)12(16)10-11/h8-10,14-15,17H,5-7H2,1-4H3.
What are the key properties of 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine?
2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 285.36 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 79495027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).