2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile

C11H12BrFN2 — CID 43364620

IUPAC2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN2/c1-2-5-15-11(7-14)9-4-3-8(12)6-10(9)13/h3-4,6,11,15H,2,5H2,1H3
InChIKeyUBCRGYPDVJMKIL-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile

2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile (PubChem CID 43364620) has the molecular formula C11H12BrFN2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
PubChem CID43364620
Molecular FormulaC11H12BrFN2
Molecular Weight271.13 g/mol
Exact Mass270.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN2/c1-2-5-15-11(7-14)9-4-3-8(12)6-10(9)13/h3-4,6,11,15H,2,5H2,1H3
InChIKeyUBCRGYPDVJMKIL-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-azidopropylamino)-2-(4-bromo-2-fluorophenyl)acetonitrile
CID 66188503
2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 43364618
1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114906702
2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile
CID 66157448
2-(3-bromo-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115216
2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158
N-[(4-bromo-2-fluorophenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 114906757
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963032
2-(4-bromo-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887028
2-(4-bromo-2-fluorophenyl)-2-(3-methylanilino)acetonitrile
CID 54886740
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile (CID 43364620) is 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile is CCCNC(C#N)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile?
The InChIKey is UBCRGYPDVJMKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2/c1-2-5-15-11(7-14)9-4-3-8(12)6-10(9)13/h3-4,6,11,15H,2,5H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile?
2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile has a molecular weight of 271.13 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile is sourced from PubChem (CID 43364620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).