2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile

C11H12BrFN2 — CID 115130446

IUPAC2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
SMILESCC(C#N)NCCc1cc(Br)ccc1F
InChIInChI=1S/C11H12BrFN2/c1-8(7-14)15-5-4-9-6-10(12)2-3-11(9)13/h2-3,6,8,15H,4-5H2,1H3
InChIKeyYROOZDGMTXHLDD-UHFFFAOYSA-N
MW271.13 g/mol
LogP2.63
Rot. Bonds4

About 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile

2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile (PubChem CID 115130446) has the molecular formula C11H12BrFN2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
PubChem CID115130446
Molecular FormulaC11H12BrFN2
Molecular Weight271.13 g/mol
Exact Mass270.02
IUPAC Name2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
SMILESCC(C#N)NCCc1cc(Br)ccc1F
InChIInChI=1S/C11H12BrFN2/c1-8(7-14)15-5-4-9-6-10(12)2-3-11(9)13/h2-3,6,8,15H,4-5H2,1H3
InChIKeyYROOZDGMTXHLDD-UHFFFAOYSA-N
XLogP2.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
2-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-methylpropanenitrile
CID 115129621
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046
N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 115195477
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
2-[2-(5-bromo-2-fluorophenyl)ethylamino]butanedioic acid
CID 115144453
3-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]propanenitrile
CID 54996548
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
CID 82648119
6-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143395
3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284298
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile?
The IUPAC name of 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile (CID 115130446) is 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile.
What is the SMILES notation for 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile?
The canonical SMILES for 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile is CC(C#N)NCCc1cc(Br)ccc1F.
What is the InChIKey of 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile?
The InChIKey is YROOZDGMTXHLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2/c1-8(7-14)15-5-4-9-6-10(12)2-3-11(9)13/h2-3,6,8,15H,4-5H2,1H3.
What are the key properties of 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile?
2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile has a molecular weight of 271.13 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile is sourced from PubChem (CID 115130446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).