2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile

C19H22FN3 — CID 75855950

IUPAC2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile
SMILESCCc1ccc(C(CNc2cccc(F)c2C#N)N(C)C)cc1
InChIInChI=1S/C19H22FN3/c1-4-14-8-10-15(11-9-14)19(23(2)3)13-22-18-7-5-6-17(20)16(18)12-21/h5-11,19,22H,4,13H2,1-3H3
InChIKeyJYUINGIWOMHZJY-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.97
Rot. Bonds6

About 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile

2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile (PubChem CID 75855950) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile
PubChem CID75855950
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC Name2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile
SMILESCCc1ccc(C(CNc2cccc(F)c2C#N)N(C)C)cc1
InChIInChI=1S/C19H22FN3/c1-4-14-8-10-15(11-9-14)19(23(2)3)13-22-18-7-5-6-17(20)16(18)12-21/h5-11,19,22H,4,13H2,1-3H3
InChIKeyJYUINGIWOMHZJY-UHFFFAOYSA-N
XLogP3.97
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(2-phenylpropylamino)benzonitrile
CID 43399520
2-fluoro-6-(2-hydroxybutylamino)benzonitrile
CID 60886657
2-(2,2-diethoxyethylamino)-6-fluorobenzonitrile
CID 81093722
3-(2-cyano-3-fluoroanilino)-2-phenylpropanoic acid
CID 64566700
2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-6-nitrobenzonitrile
CID 96997803
2-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-5-nitrobenzonitrile
CID 7922904
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-fluoro-6-(octylamino)benzonitrile
CID 43580179
2-fluoro-6-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 43402732
N'-(3-fluoro-2-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 60578967
2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile
CID 32809400

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile (CID 75855950) is 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile is CCc1ccc(C(CNc2cccc(F)c2C#N)N(C)C)cc1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile?
The InChIKey is JYUINGIWOMHZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3/c1-4-14-8-10-15(11-9-14)19(23(2)3)13-22-18-7-5-6-17(20)16(18)12-21/h5-11,19,22H,4,13H2,1-3H3.
What are the key properties of 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile?
2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile has a molecular weight of 311.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-fluorobenzonitrile is sourced from PubChem (CID 75855950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).