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

C10H14BrFN2 — CID 115195477

IUPACN'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
SMILESNCCNCCc1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN2/c11-9-1-2-10(12)8(7-9)3-5-14-6-4-13/h1-2,7,14H,3-6,13H2
InChIKeyYFRBMBQHEZALDP-UHFFFAOYSA-N
MW261.14 g/mol
LogP1.68
Rot. Bonds5

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

N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine (PubChem CID 115195477) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
PubChem CID115195477
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC NameN'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
SMILESNCCNCCc1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN2/c11-9-1-2-10(12)8(7-9)3-5-14-6-4-13/h1-2,7,14H,3-6,13H2
InChIKeyYFRBMBQHEZALDP-UHFFFAOYSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 51.68
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]-N-methylethane-1,2-diamine
CID 115196046
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide
CID 20823780
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189
3-[[2-(5-bromo-2-fluorophenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214310
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
CID 119745593
N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
CID 82648185
2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 119111554
1-[[2-(5-bromo-2-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243086
ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
CID 110792453
2-[2-(5-bromo-2-fluorophenyl)ethylamino]butanedioic acid
CID 115144453

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine (CID 115195477) is N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine is NCCNCCc1cc(Br)ccc1F.
What is the InChIKey of N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine?
The InChIKey is YFRBMBQHEZALDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c11-9-1-2-10(12)8(7-9)3-5-14-6-4-13/h1-2,7,14H,3-6,13H2.
What are the key properties of N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine?
N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine has a molecular weight of 261.14 g/mol, XLogP of 1.68, 5 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]ethane-1,2-diamine is sourced from PubChem (CID 115195477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).