2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile

C14H20FN3 — CID 114831859

IUPAC2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile
SMILESCN(C)CCNC(C)(C#N)Cc1cccc(F)c1
InChIInChI=1S/C14H20FN3/c1-14(11-16,17-7-8-18(2)3)10-12-5-4-6-13(15)9-12/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyXSOFNVFJYKNOOF-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.80
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile

2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile (PubChem CID 114831859) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile
PubChem CID114831859
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile
SMILESCN(C)CCNC(C)(C#N)Cc1cccc(F)c1
InChIInChI=1S/C14H20FN3/c1-14(11-16,17-7-8-18(2)3)10-12-5-4-6-13(15)9-12/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyXSOFNVFJYKNOOF-UHFFFAOYSA-N
XLogP1.80
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831847
3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140436
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile
CID 114835027
2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831424
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
CID 71052511
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
2-(3-fluoroanilino)-2-methylpentanenitrile
CID 60990230
3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile
CID 114831787
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113039942
3-(3-fluorophenyl)-2-methyl-2-N-pent-3-ynylpropane-1,2-diamine
CID 114831761
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile (CID 114831859) is 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile is CN(C)CCNC(C)(C#N)Cc1cccc(F)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile?
The InChIKey is XSOFNVFJYKNOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-14(11-16,17-7-8-18(2)3)10-12-5-4-6-13(15)9-12/h4-6,9,17H,7-8,10H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile?
2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile has a molecular weight of 249.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile is sourced from PubChem (CID 114831859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).