N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

C14H20FNO3 — CID 55120194

IUPACN-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)C1COCCO1
InChIInChI=1S/C14H20FNO3/c1-3-16-14(13-9-18-6-7-19-13)11-8-10(15)4-5-12(11)17-2/h4-5,8,13-14,16H,3,6-7,9H2,1-2H3
InChIKeyUGRXKZARPMKRSC-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.90
Rot. Bonds5

About N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (PubChem CID 55120194) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
PubChem CID55120194
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC NameN-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)C1COCCO1
InChIInChI=1S/C14H20FNO3/c1-3-16-14(13-9-18-6-7-19-13)11-8-10(15)4-5-12(11)17-2/h4-5,8,13-14,16H,3,6-7,9H2,1-2H3
InChIKeyUGRXKZARPMKRSC-UHFFFAOYSA-N
XLogP1.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]-1,4-dioxane
CID 55119715
N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62800281
N-[(2-chloro-4,5-difluorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 107476476
N-[(2,4-difluoro-5-methylphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 79725090
N-[1,4-dioxan-2-yl-(4-methoxy-2,5-dimethylphenyl)methyl]propan-1-amine
CID 105032985
N-[(5-fluoro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 82770730
1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65352738
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
CID 62798503
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
N-[(2,5-dimethoxyphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 79963651
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (CID 55120194) is N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1OC)C1COCCO1.
What is the InChIKey of N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is UGRXKZARPMKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-3-16-14(13-9-18-6-7-19-13)11-8-10(15)4-5-12(11)17-2/h4-5,8,13-14,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 269.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 55120194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).