2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine

C13H21N3O2 — CID 171534506

IUPAC2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(N2CCNC2)c(OC)cc1CCN
InChIInChI=1S/C13H21N3O2/c1-17-12-8-11(16-6-5-15-9-16)13(18-2)7-10(12)3-4-14/h7-8,15H,3-6,9,14H2,1-2H3
InChIKeyDZZIUYBGQDEQPJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.57
Rot. Bonds5

About 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine

2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine (PubChem CID 171534506) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine
PubChem CID171534506
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(N2CCNC2)c(OC)cc1CCN
InChIInChI=1S/C13H21N3O2/c1-17-12-8-11(16-6-5-15-9-16)13(18-2)7-10(12)3-4-14/h7-8,15H,3-6,9,14H2,1-2H3
InChIKeyDZZIUYBGQDEQPJ-UHFFFAOYSA-N
XLogP0.57
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine
CID 171534609
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117415704
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine
CID 18918724
4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
CID 117492352
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine (CID 171534506) is 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine is COc1cc(N2CCNC2)c(OC)cc1CCN.
What is the InChIKey of 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine?
The InChIKey is DZZIUYBGQDEQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-12-8-11(16-6-5-15-9-16)13(18-2)7-10(12)3-4-14/h7-8,15H,3-6,9,14H2,1-2H3.
What are the key properties of 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine?
2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 171534506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).