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

C16H28N2O2 — CID 43570017

IUPAC1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(N)CN(C)C(C)C(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-11(2)12(3)18(4)10-15(17)14-9-13(19-5)7-8-16(14)20-6/h7-9,11-12,15H,10,17H2,1-6H3
InChIKeyZCDKCESDQBDRIV-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.68
Rot. Bonds7

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

1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 43570017) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID43570017
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(N)CN(C)C(C)C(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-11(2)12(3)18(4)10-15(17)14-9-13(19-5)7-8-16(14)20-6/h7-9,11-12,15H,10,17H2,1-6H3
InChIKeyZCDKCESDQBDRIV-UHFFFAOYSA-N
XLogP2.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43569070
N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 16790532
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,4-dimethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453473
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734412
4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 113305256
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 43570017) is 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is COc1ccc(OC)c(C(N)CN(C)C(C)C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is ZCDKCESDQBDRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)12(3)18(4)10-15(17)14-9-13(19-5)7-8-16(14)20-6/h7-9,11-12,15H,10,17H2,1-6H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.68, 7 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'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43570017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).