1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

C15H24N2O3 — CID 82734412

IUPAC1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(N)CN(C)C2CCOC2)c1
InChIInChI=1S/C15H24N2O3/c1-17(11-6-7-20-10-11)9-14(16)13-8-12(18-2)4-5-15(13)19-3/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyXSRSVKNFYXYGTM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.42
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82734412) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82734412
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(N)CN(C)C2CCOC2)c1
InChIInChI=1S/C15H24N2O3/c1-17(11-6-7-20-10-11)9-14(16)13-8-12(18-2)4-5-15(13)19-3/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyXSRSVKNFYXYGTM-UHFFFAOYSA-N
XLogP1.42
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 16790532
1-(2,4-dimethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82733681
N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43569070
1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735465
N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734629
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
1-(2,5-dimethoxyphenyl)-2-morpholin-3-ylethanamine
CID 116941470
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43570017
1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163900
1-(2,5-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16780959
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82734412) is 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is COc1ccc(OC)c(C(N)CN(C)C2CCOC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is XSRSVKNFYXYGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(11-6-7-20-10-11)9-14(16)13-8-12(18-2)4-5-15(13)19-3/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 280.37 g/mol, XLogP of 1.42, 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'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82734412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).