3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile

C11H13FN2 — CID 43242616

IUPAC3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CNCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-9(6-13)7-14-8-10-2-4-11(12)5-3-10/h2-5,9,14H,7-8H2,1H3
InChIKeyLVWDEBMFHUIAKQ-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.07
Rot. Bonds4

About 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile

3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile (PubChem CID 43242616) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
PubChem CID43242616
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CNCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-9(6-13)7-14-8-10-2-4-11(12)5-3-10/h2-5,9,14H,7-8H2,1H3
InChIKeyLVWDEBMFHUIAKQ-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile (CID 43242616) is 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile is CC(C#N)CNCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile?
The InChIKey is LVWDEBMFHUIAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-9(6-13)7-14-8-10-2-4-11(12)5-3-10/h2-5,9,14H,7-8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile?
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile has a molecular weight of 192.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 43242616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).