2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile

C12H15FN2 — CID 62121158

IUPAC2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(F)c(C)c1
InChIInChI=1S/C12H15FN2/c1-3-6-15-12(8-14)10-4-5-11(13)9(2)7-10/h4-5,7,12,15H,3,6H2,1-2H3
InChIKeyVALOXTXCXCRVAL-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile

2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile (PubChem CID 62121158) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
PubChem CID62121158
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(F)c(C)c1
InChIInChI=1S/C12H15FN2/c1-3-6-15-12(8-14)10-4-5-11(13)9(2)7-10/h4-5,7,12,15H,3,6H2,1-2H3
InChIKeyVALOXTXCXCRVAL-UHFFFAOYSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 81145776
2-(3-bromo-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115216
2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
CID 64720996
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
2-[(4-fluoro-3-methylphenyl)-(methylamino)methyl]butanenitrile
CID 116960512
2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
CID 43364620

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile (CID 62121158) is 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile is CCCNC(C#N)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile?
The InChIKey is VALOXTXCXCRVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-3-6-15-12(8-14)10-4-5-11(13)9(2)7-10/h4-5,7,12,15H,3,6H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile?
2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile has a molecular weight of 206.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile is sourced from PubChem (CID 62121158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).