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

C15H24FNO3 — CID 83075998

IUPAC2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(F)c(OC)c1)OCC
InChIInChI=1S/C15H24FNO3/c1-5-19-15(20-6-2)10-17-11(3)12-7-8-13(16)14(9-12)18-4/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyMCNOZOOINLHHLT-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.88
Rot. Bonds9

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

2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine (PubChem CID 83075998) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
PubChem CID83075998
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(F)c(OC)c1)OCC
InChIInChI=1S/C15H24FNO3/c1-5-19-15(20-6-2)10-17-11(3)12-7-8-13(16)14(9-12)18-4/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyMCNOZOOINLHHLT-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'}

Analyze 2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
CID 83075210
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461
N-(2-ethoxyethyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82994797
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]-2-methylpropanenitrile
CID 83076076
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
4-(diethoxymethyl)-1-fluoro-2-methoxybenzene
CID 146004738
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115879329
N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548546
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine (CID 83075998) is 2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine is CCOC(CNC(C)c1ccc(F)c(OC)c1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine?
The InChIKey is MCNOZOOINLHHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-5-19-15(20-6-2)10-17-11(3)12-7-8-13(16)14(9-12)18-4/h7-9,11,15,17H,5-6,10H2,1-4H3.
What are the key properties of 2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine?
2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]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-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 83075998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).