1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine

C15H23NO4 — CID 61023281

IUPAC1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)NCC2COCCO2)c1
InChIInChI=1S/C15H23NO4/c1-11(16-9-13-10-19-6-7-20-13)14-8-12(17-2)4-5-15(14)18-3/h4-5,8,11,13,16H,6-7,9-10H2,1-3H3
InChIKeyNSQXCMWDMWEPCU-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.77
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine

1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine (PubChem CID 61023281) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
PubChem CID61023281
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)NCC2COCCO2)c1
InChIInChI=1S/C15H23NO4/c1-11(16-9-13-10-19-6-7-20-13)14-8-12(17-2)4-5-15(14)18-3/h4-5,8,11,13,16H,6-7,9-10H2,1-3H3
InChIKeyNSQXCMWDMWEPCU-UHFFFAOYSA-N
XLogP1.77
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54907826
(1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine
CID 124572307
4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
CID 81134000
1-(2-bromo-4-fluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 113260327
1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
1-(2,4-dichloro-5-fluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907786
1-(3,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907448
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
1-(3-chlorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907396
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
N-(1,4-dioxan-2-ylmethyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 61024592

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine (CID 61023281) is 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine is COc1ccc(OC)c(C(C)NCC2COCCO2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine?
The InChIKey is NSQXCMWDMWEPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(16-9-13-10-19-6-7-20-13)14-8-12(17-2)4-5-15(14)18-3/h4-5,8,11,13,16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine?
1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine has a molecular weight of 281.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 61023281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).