N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine

C13H22N2O2 — CID 62682391

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(C(C)N(C)CCN)cc1OC
InChIInChI=1S/C13H22N2O2/c1-10(15(2)8-7-14)11-5-6-12(16-3)13(9-11)17-4/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyYSJDQFOHEUTAMZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.66
Rot. Bonds6

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62682391) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62682391
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(C(C)N(C)CCN)cc1OC
InChIInChI=1S/C13H22N2O2/c1-10(15(2)8-7-14)11-5-6-12(16-3)13(9-11)17-4/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyYSJDQFOHEUTAMZ-UHFFFAOYSA-N
XLogP1.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoic acid
CID 2902334
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62915186
N'-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methylethane-1,2-diamine
CID 62682189
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634707
(3,4-dimethoxyphenyl)-(dimethylamino)methanethiol
CID 116909365
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine (CID 62682391) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine is COc1ccc(C(C)N(C)CCN)cc1OC.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is YSJDQFOHEUTAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(15(2)8-7-14)11-5-6-12(16-3)13(9-11)17-4/h5-6,9-10H,7-8,14H2,1-4H3.
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62682391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).