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

C12H20N2O2 — CID 16642877

IUPAC1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CN)N(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-14(2)11(8-13)10-7-9(15-3)5-6-12(10)16-4/h5-7,11H,8,13H2,1-4H3
InChIKeyPHGQORFMVUSULO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.27
Rot. Bonds5

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

1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 16642877) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID16642877
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CN)N(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-14(2)11(8-13)10-7-9(15-3)5-6-12(10)16-4/h5-7,11H,8,13H2,1-4H3
InChIKeyPHGQORFMVUSULO-UHFFFAOYSA-N
XLogP1.27
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
2-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanethiol
CID 116908765
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769
1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571892
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 54884298
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
1-(2,5-dimethoxyphenyl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842302
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999
N-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43263961
1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527387

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 16642877) is 1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1ccc(OC)c(C(CN)N(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is PHGQORFMVUSULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(2)11(8-13)10-7-9(15-3)5-6-12(10)16-4/h5-7,11H,8,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine?
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 16642877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).