1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine

C14H21NO3 — CID 65352933

IUPAC1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)C1COCCO1
InChIInChI=1S/C14H21NO3/c1-15-13(14-10-17-6-7-18-14)9-11-4-3-5-12(8-11)16-2/h3-5,8,13-15H,6-7,9-10H2,1-2H3
InChIKeyYLXHFEYRVABYEN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine

1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 65352933) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
PubChem CID65352933
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)C1COCCO1
InChIInChI=1S/C14H21NO3/c1-15-13(14-10-17-6-7-18-14)9-11-4-3-5-12(8-11)16-2/h3-5,8,13-15H,6-7,9-10H2,1-2H3
InChIKeyYLXHFEYRVABYEN-UHFFFAOYSA-N
XLogP1.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 65352870
2-(3,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 115875400
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352823
1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 65352577
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 62800106
[2-(3-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 105295325
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295382
2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352423
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine
CID 79050878

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine (CID 65352933) is 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(OC)c1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is YLXHFEYRVABYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-13(14-10-17-6-7-18-14)9-11-4-3-5-12(8-11)16-2/h3-5,8,13-15H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 251.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 65352933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).