3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine

C12H19BrN2O — CID 79092611

IUPAC3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(Br)cc1CC(N)CN(C)C
InChIInChI=1S/C12H19BrN2O/c1-15(2)8-11(14)7-9-6-10(13)4-5-12(9)16-3/h4-6,11H,7-8,14H2,1-3H3
InChIKeyZTJKEGXWDAABPV-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.89
Rot. Bonds5

About 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine

3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 79092611) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID79092611
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(Br)cc1CC(N)CN(C)C
InChIInChI=1S/C12H19BrN2O/c1-15(2)8-11(14)7-9-6-10(13)4-5-12(9)16-3/h4-6,11H,7-8,14H2,1-3H3
InChIKeyZTJKEGXWDAABPV-UHFFFAOYSA-N
XLogP1.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-N-[(5-bromo-2-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944908
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-ol
CID 113291156
1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559107
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
4-(5-bromo-2-methoxyphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346330
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 62505917
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817280

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 79092611) is 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc(Br)cc1CC(N)CN(C)C.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is ZTJKEGXWDAABPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-15(2)8-11(14)7-9-6-10(13)4-5-12(9)16-3/h4-6,11H,7-8,14H2,1-3H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 287.20 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79092611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).