2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile

C11H13FN2 — CID 28702608

IUPAC2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
SMILESCC(C)(C#N)NCc1ccccc1F
InChIInChI=1S/C11H13FN2/c1-11(2,8-13)14-7-9-5-3-4-6-10(9)12/h3-6,14H,7H2,1-2H3
InChIKeyPSSYVJXNESMDKK-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.22
Rot. Bonds3

About 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile

2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile (PubChem CID 28702608) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
PubChem CID28702608
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
SMILESCC(C)(C#N)NCc1ccccc1F
InChIInChI=1S/C11H13FN2/c1-11(2,8-13)14-7-9-5-3-4-6-10(9)12/h3-6,14H,7H2,1-2H3
InChIKeyPSSYVJXNESMDKK-UHFFFAOYSA-N
XLogP2.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile
CID 115129371
N-[(2-fluorophenyl)methyl]-2-methylhexa-3,5-diyn-2-amine
CID 167781033
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476
3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile
CID 114831782
3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile
CID 114831787
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248609
2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111977207
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile (CID 28702608) is 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile is CC(C)(C#N)NCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile?
The InChIKey is PSSYVJXNESMDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-11(2,8-13)14-7-9-5-3-4-6-10(9)12/h3-6,14H,7H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile?
2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile has a molecular weight of 192.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 28702608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).