N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

C11H16BrFN2 — CID 115196046

IUPACN'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCc1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2/c1-14-6-7-15-5-4-9-8-10(12)2-3-11(9)13/h2-3,8,14-15H,4-7H2,1H3
InChIKeyGAXOMZYFGCTZEP-UHFFFAOYSA-N
MW275.16 g/mol
LogP1.94
Rot. Bonds6

About N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 115196046) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
PubChem CID115196046
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC NameN'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCc1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2/c1-14-6-7-15-5-4-9-8-10(12)2-3-11(9)13/h2-3,8,14-15H,4-7H2,1H3
InChIKeyGAXOMZYFGCTZEP-UHFFFAOYSA-N
XLogP1.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 115195477
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202149
2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide
CID 20823780
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202214
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374438
3-[[2-(5-bromo-2-fluorophenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214310
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 115130446
2-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-methylpropanenitrile
CID 115129621
2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 119111554

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (CID 115196046) is N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is CNCCNCCc1cc(Br)ccc1F.
What is the InChIKey of N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is GAXOMZYFGCTZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-14-6-7-15-5-4-9-8-10(12)2-3-11(9)13/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 275.16 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 115196046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).