N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine

C12H20N2O2 — CID 28575908

IUPACN-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCN(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-14(2)8-7-13-11-9-10(15-3)5-6-12(11)16-4/h5-6,9,13H,7-8H2,1-4H3
InChIKeyFWAIBRHWMBTDCY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.68
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine

N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 28575908) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID28575908
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCN(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-14(2)8-7-13-11-9-10(15-3)5-6-12(11)16-4/h5-6,9,13H,7-8H2,1-4H3
InChIKeyFWAIBRHWMBTDCY-UHFFFAOYSA-N
XLogP1.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82084110
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CID 54797025
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
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2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 103033084
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
2,5-dimethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471918
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28572779
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CID 60680727
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CID 112981378

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine (CID 28575908) is N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine is COc1ccc(OC)c(NCCN(C)C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FWAIBRHWMBTDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(2)8-7-13-11-9-10(15-3)5-6-12(11)16-4/h5-6,9,13H,7-8H2,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 28575908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).