2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C12H18BrFN2 — CID 115132613

IUPAC2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)c1cc(Br)ccc1F
InChIInChI=1S/C12H18BrFN2/c1-12(2,8-15-3)16(4)11-7-9(13)5-6-10(11)14/h5-7,15H,8H2,1-4H3
InChIKeyAZERYYVUUDSQCU-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.02
Rot. Bonds4

About 2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115132613) has the molecular formula C12H18BrFN2 and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115132613
Molecular FormulaC12H18BrFN2
Molecular Weight289.19 g/mol
Exact Mass288.06
IUPAC Name2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)c1cc(Br)ccc1F
InChIInChI=1S/C12H18BrFN2/c1-12(2,8-15-3)16(4)11-7-9(13)5-6-10(11)14/h5-7,15H,8H2,1-4H3
InChIKeyAZERYYVUUDSQCU-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133025
2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132623
5-bromo-N-ethyl-2-fluoro-N-methylaniline
CID 115259359
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylaniline
CID 115214767
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62726256
N-(5-bromo-2-fluorophenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188821
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407
3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
CID 115154940
1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115222052
N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182970
N-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115191064
3-N-[2-(5-bromo-2-fluorophenyl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135034

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115132613) is 2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)c1cc(Br)ccc1F.
What is the InChIKey of 2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is AZERYYVUUDSQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2/c1-12(2,8-15-3)16(4)11-7-9(13)5-6-10(11)14/h5-7,15H,8H2,1-4H3.
What are the key properties of 2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 289.19 g/mol, XLogP of 3.02, 4 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-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115132613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).