1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine

C13H19NO3 — CID 65352870

IUPAC1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)C2COCCO2)c1
InChIInChI=1S/C13H19NO3/c1-15-11-4-2-3-10(7-11)8-12(14)13-9-16-5-6-17-13/h2-4,7,12-13H,5-6,8-9,14H2,1H3
InChIKeyOBWNXRNKXCZYKQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.98
Rot. Bonds4

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

1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 65352870) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
PubChem CID65352870
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)C2COCCO2)c1
InChIInChI=1S/C13H19NO3/c1-15-11-4-2-3-10(7-11)8-12(14)13-9-16-5-6-17-13/h2-4,7,12-13H,5-6,8-9,14H2,1H3
InChIKeyOBWNXRNKXCZYKQ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 65352933
2-(3-bromo-4-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65352974
2-(3-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115840738
1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 65391804
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methoxyphenyl)ethanamine
CID 64984484
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
CID 23382360
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 115825275

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine (CID 65352870) is 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine is COc1cccc(CC(N)C2COCCO2)c1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is OBWNXRNKXCZYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-11-4-2-3-10(7-11)8-12(14)13-9-16-5-6-17-13/h2-4,7,12-13H,5-6,8-9,14H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine?
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 237.30 g/mol, XLogP of 0.98, 4 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)ethanamine is sourced from PubChem (CID 65352870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).