1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine

C11H17BrN2O2 — CID 62065826

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCNC(CN)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C11H17BrN2O2/c1-14-9(6-13)7-4-10(15-2)11(16-3)5-8(7)12/h4-5,9,14H,6,13H2,1-3H3
InChIKeyOPWVTNZFOAVCCV-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.69
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine

1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 62065826) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID62065826
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCNC(CN)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C11H17BrN2O2/c1-14-9(6-13)7-4-10(15-2)11(16-3)5-8(7)12/h4-5,9,14H,6,13H2,1-3H3
InChIKeyOPWVTNZFOAVCCV-UHFFFAOYSA-N
XLogP1.69
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-N-propylethane-1,2-diamine
CID 62066577
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556182
1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380356
1-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156118
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499903
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538
2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
CID 61047473
2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine
CID 117499898
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 105056702
1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 43491693
(3S)-3-acetamido-3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid
CID 78947500

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine (CID 62065826) is 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine is CNC(CN)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is OPWVTNZFOAVCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-14-9(6-13)7-4-10(15-2)11(16-3)5-8(7)12/h4-5,9,14H,6,13H2,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine?
1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 289.17 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62065826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).