2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine

C10H15BrN2 — CID 82021054

IUPAC2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1ccccc1Br
InChIInChI=1S/C10H15BrN2/c1-8(7-12)13(2)10-6-4-3-5-9(10)11/h3-6,8H,7,12H2,1-2H3
InChIKeyQXUJCTWRNBUYJB-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.23
Rot. Bonds3

About 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine

2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 82021054) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
PubChem CID82021054
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1ccccc1Br
InChIInChI=1S/C10H15BrN2/c1-8(7-12)13(2)10-6-4-3-5-9(10)11/h3-6,8H,7,12H2,1-2H3
InChIKeyQXUJCTWRNBUYJB-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-N-[2-(2-bromophenyl)ethyl]-2-N-methylpropane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine (CID 82021054) is 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine is CC(CN)N(C)c1ccccc1Br.
What is the InChIKey of 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is QXUJCTWRNBUYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-8(7-12)13(2)10-6-4-3-5-9(10)11/h3-6,8H,7,12H2,1-2H3.
What are the key properties of 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine?
2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 243.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 82021054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).