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

C13H20FNO3 — CID 83075210

IUPACN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
SMILESCOc1cc(C(C)NCC(OC)OC)ccc1F
InChIInChI=1S/C13H20FNO3/c1-9(15-8-13(17-3)18-4)10-5-6-11(14)12(7-10)16-2/h5-7,9,13,15H,8H2,1-4H3
InChIKeyGJHOULNPNQPKIX-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.10
Rot. Bonds7

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

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine (PubChem CID 83075210) has the molecular formula C13H20FNO3 and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
PubChem CID83075210
Molecular FormulaC13H20FNO3
Molecular Weight257.31 g/mol
Exact Mass257.14
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
SMILESCOc1cc(C(C)NCC(OC)OC)ccc1F
InChIInChI=1S/C13H20FNO3/c1-9(15-8-13(17-3)18-4)10-5-6-11(14)12(7-10)16-2/h5-7,9,13,15H,8H2,1-4H3
InChIKeyGJHOULNPNQPKIX-UHFFFAOYSA-N
XLogP2.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.10
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

2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83075998
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]-2-methylpropanenitrile
CID 83076076
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81347893
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
N-(2-ethoxyethyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82994797
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115879329
[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
CID 103947395
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-N',N'-dimethylbutane-1,4-diamine
CID 82994195

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine (CID 83075210) is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine is COc1cc(C(C)NCC(OC)OC)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine?
The InChIKey is GJHOULNPNQPKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-9(15-8-13(17-3)18-4)10-5-6-11(14)12(7-10)16-2/h5-7,9,13,15H,8H2,1-4H3.
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine?
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine has a molecular weight of 257.31 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 83075210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).