3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine

C13H22BrN3 — CID 115120181

IUPAC3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
SMILESCC(C)(CNCC(N)CN)c1ccc(Br)cc1
InChIInChI=1S/C13H22BrN3/c1-13(2,9-17-8-12(16)7-15)10-3-5-11(14)6-4-10/h3-6,12,17H,7-9,15-16H2,1-2H3
InChIKeyACTLKTIJEJPLBT-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.60
Rot. Bonds6

About 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine

3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine (PubChem CID 115120181) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
PubChem CID115120181
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
SMILESCC(C)(CNCC(N)CN)c1ccc(Br)cc1
InChIInChI=1S/C13H22BrN3/c1-13(2,9-17-8-12(16)7-15)10-3-5-11(14)6-4-10/h3-6,12,17H,7-9,15-16H2,1-2H3
InChIKeyACTLKTIJEJPLBT-UHFFFAOYSA-N
XLogP1.60
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120194
3-N-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120210
N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine
CID 115205088
2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251147
2-[[2-(4-bromophenyl)-2-methylpropyl]amino]ethanethiol
CID 115224463
3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine
CID 115120224
3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
CID 115135576
3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115241899
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631
3-N-[2-(4-tert-butylphenyl)ethyl]propane-1,2,3-triamine
CID 115119935
2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115251783
2-amino-N-[2-(4-bromophenyl)-2-methylpropyl]-2-phenylacetamide
CID 119295146

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine (CID 115120181) is 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine is CC(C)(CNCC(N)CN)c1ccc(Br)cc1.
What is the InChIKey of 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine?
The InChIKey is ACTLKTIJEJPLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-13(2,9-17-8-12(16)7-15)10-3-5-11(14)6-4-10/h3-6,12,17H,7-9,15-16H2,1-2H3.
What are the key properties of 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine?
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine has a molecular weight of 300.24 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine is sourced from PubChem (CID 115120181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).