3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile

C11H12F2N2 — CID 115879627

IUPAC3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile
SMILESCN(CCC#N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2N2/c1-15(4-2-3-14)8-9-5-10(12)7-11(13)6-9/h5-7H,2,4,8H2,1H3
InChIKeyYKZWYLGJYWKEOR-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.31
Rot. Bonds4

About 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile

3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile (PubChem CID 115879627) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile
PubChem CID115879627
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile
SMILESCN(CCC#N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2N2/c1-15(4-2-3-14)8-9-5-10(12)7-11(13)6-9/h5-7H,2,4,8H2,1H3
InChIKeyYKZWYLGJYWKEOR-UHFFFAOYSA-N
XLogP2.31
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-[(3,5-difluorophenyl)methyl]anilino]propanenitrile
CID 105403421
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 115230942
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanenitrile
CID 43084546
3-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl-methylamino]propanenitrile
CID 54968865
N,N-bis(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86911190
2-[4-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetic acid
CID 105345625
3-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]propanenitrile
CID 115230986
4-[3-fluoro-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 79703818
N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide
CID 65098629
3-[(3-amino-5-fluorophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 112646163
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanenitrile
CID 115231013
4-[2-(3-fluorophenyl)ethyl-methylamino]butanenitrile
CID 115232077

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile?
The IUPAC name of 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile (CID 115879627) is 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile?
The canonical SMILES for 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile is CN(CCC#N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile?
The InChIKey is YKZWYLGJYWKEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2/c1-15(4-2-3-14)8-9-5-10(12)7-11(13)6-9/h5-7H,2,4,8H2,1H3.
What are the key properties of 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile?
3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile has a molecular weight of 210.23 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile is sourced from PubChem (CID 115879627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).