2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile

C14H20FN3 — CID 54889234

IUPAC2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccccc1F
InChIInChI=1S/C14H20FN3/c1-3-18(4-2)10-9-17-14(11-16)12-7-5-6-8-13(12)15/h5-8,14,17H,3-4,9-10H2,1-2H3
InChIKeyYCCHEHAMZVRJKO-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.32
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile

2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile (PubChem CID 54889234) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
PubChem CID54889234
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccccc1F
InChIInChI=1S/C14H20FN3/c1-3-18(4-2)10-9-17-14(11-16)12-7-5-6-8-13(12)15/h5-8,14,17H,3-4,9-10H2,1-2H3
InChIKeyYCCHEHAMZVRJKO-UHFFFAOYSA-N
XLogP2.32
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889441
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889345
2-(2-fluorophenyl)-2-(prop-2-enylamino)acetonitrile
CID 62354655
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
2-[cyano-[2-(dimethylamino)ethylamino]methyl]benzonitrile
CID 114017997
2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889204
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile (CID 54889234) is 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile is CCN(CC)CCNC(C#N)c1ccccc1F.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile?
The InChIKey is YCCHEHAMZVRJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-3-18(4-2)10-9-17-14(11-16)12-7-5-6-8-13(12)15/h5-8,14,17H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile?
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile has a molecular weight of 249.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile is sourced from PubChem (CID 54889234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).