4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile

C12H15FN2 — CID 82077294

IUPAC4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
SMILESCN(C)CCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2/c1-15(2)8-7-11(9-14)10-3-5-12(13)6-4-10/h3-6,11H,7-8H2,1-2H3
InChIKeyDMHOFUYEPFNQAY-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.38
Rot. Bonds4

About 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile

4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile (PubChem CID 82077294) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
PubChem CID82077294
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
SMILESCN(C)CCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2/c1-15(2)8-7-11(9-14)10-3-5-12(13)6-4-10/h3-6,11H,7-8H2,1-2H3
InChIKeyDMHOFUYEPFNQAY-UHFFFAOYSA-N
XLogP2.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-4-(dimethylamino)butanenitrile
CID 82089128
4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide
CID 112516955
2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile
CID 70242162
4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 112508618
2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 82077975
(2S)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191860
(2R)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191859
3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82092276
2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
CID 82137130
2-(4-chlorophenyl)-4-(diethylamino)butanenitrile
CID 12550813
2-(4-fluorophenyl)-6-phenoxyhexanenitrile
CID 82137114
3-(dimethylamino)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82078866

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile?
The IUPAC name of 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile (CID 82077294) is 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile.
What is the SMILES notation for 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile?
The canonical SMILES for 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile is CN(C)CCC(C#N)c1ccc(F)cc1.
What is the InChIKey of 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile?
The InChIKey is DMHOFUYEPFNQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-15(2)8-7-11(9-14)10-3-5-12(13)6-4-10/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile?
4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile has a molecular weight of 206.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile is sourced from PubChem (CID 82077294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).