1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine

C13H19NO3 — CID 65352569

IUPAC1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)C1COCCO1
InChIInChI=1S/C13H19NO3/c1-2-16-11-6-4-3-5-10(11)13(14)12-9-15-7-8-17-12/h3-6,12-13H,2,7-9,14H2,1H3
InChIKeyZRMAMXOYGBIWBQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.50
Rot. Bonds4

About 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine

1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine (PubChem CID 65352569) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
PubChem CID65352569
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)C1COCCO1
InChIInChI=1S/C13H19NO3/c1-2-16-11-6-4-3-5-10(11)13(14)12-9-15-7-8-17-12/h3-6,12-13H,2,7-9,14H2,1H3
InChIKeyZRMAMXOYGBIWBQ-UHFFFAOYSA-N
XLogP1.50
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxyphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79664711
1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
CID 62798863
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105036000
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine
CID 79597276
[(2-ethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine
CID 105228918
[2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine
CID 104660485
1,4-dioxan-2-yl-(5-ethylfuran-2-yl)methanamine
CID 62804530
[2-(2-methoxyethoxy)phenyl]-(4-methylmorpholin-2-yl)methanamine
CID 104660396
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
1-(2-ethoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79057615

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine?
The IUPAC name of 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine (CID 65352569) is 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine.
What is the SMILES notation for 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine?
The canonical SMILES for 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine is CCOc1ccccc1C(N)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine?
The InChIKey is ZRMAMXOYGBIWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-16-11-6-4-3-5-10(11)13(14)12-9-15-7-8-17-12/h3-6,12-13H,2,7-9,14H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine?
1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine is sourced from PubChem (CID 65352569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).