2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine

C11H17BrN2 — CID 117039939

IUPAC2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCc1ccc(Br)cc1N(C)C(C)CN
InChIInChI=1S/C11H17BrN2/c1-8-4-5-10(12)6-11(8)14(3)9(2)7-13/h4-6,9H,7,13H2,1-3H3
InChIKeyZYEXIPZUPXPLTB-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.54
Rot. Bonds3

About 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine

2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 117039939) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID117039939
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCc1ccc(Br)cc1N(C)C(C)CN
InChIInChI=1S/C11H17BrN2/c1-8-4-5-10(12)6-11(8)14(3)9(2)7-13/h4-6,9H,7,13H2,1-3H3
InChIKeyZYEXIPZUPXPLTB-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
3-(2-amino-5-bromo-N-methylanilino)butanenitrile
CID 65342249
2-N-methyl-2-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 117039946
5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline
CID 107080465
2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
CID 114889459
3-N-(5-bromo-2-methoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 117040232
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
CID 43281950
2-N-[(5-bromo-2-methylphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 115138236
2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039891
N'-[(5-bromo-2-methylphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252546

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine (CID 117039939) is 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine is Cc1ccc(Br)cc1N(C)C(C)CN.
What is the InChIKey of 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is ZYEXIPZUPXPLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-8-4-5-10(12)6-11(8)14(3)9(2)7-13/h4-6,9H,7,13H2,1-3H3.
What are the key properties of 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine?
2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 257.17 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117039939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).