2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile

C15H21FN2 — CID 115254196

IUPAC2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile
SMILESCCC(C#N)CNCC(C)(C)c1ccccc1F
InChIInChI=1S/C15H21FN2/c1-4-12(9-17)10-18-11-15(2,3)13-7-5-6-8-14(13)16/h5-8,12,18H,4,10-11H2,1-3H3
InChIKeyLZWBTBUDEJTQAY-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.24
Rot. Bonds6

About 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile

2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile (PubChem CID 115254196) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile
PubChem CID115254196
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile
SMILESCCC(C#N)CNCC(C)(C)c1ccccc1F
InChIInChI=1S/C15H21FN2/c1-4-12(9-17)10-18-11-15(2,3)13-7-5-6-8-14(13)16/h5-8,12,18H,4,10-11H2,1-3H3
InChIKeyLZWBTBUDEJTQAY-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile?
The IUPAC name of 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile (CID 115254196) is 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile.
What is the SMILES notation for 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile?
The canonical SMILES for 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile is CCC(C#N)CNCC(C)(C)c1ccccc1F.
What is the InChIKey of 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile?
The InChIKey is LZWBTBUDEJTQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-4-12(9-17)10-18-11-15(2,3)13-7-5-6-8-14(13)16/h5-8,12,18H,4,10-11H2,1-3H3.
What are the key properties of 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile?
2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile has a molecular weight of 248.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile is sourced from PubChem (CID 115254196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).