2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile

C14H17FN2 — CID 103760699

IUPAC2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile
SMILESCC(C1CC1)N(C)Cc1cc(F)ccc1C#N
InChIInChI=1S/C14H17FN2/c1-10(11-3-4-11)17(2)9-13-7-14(15)6-5-12(13)8-16/h5-7,10-11H,3-4,9H2,1-2H3
InChIKeyBXZSIVNEWKTBAS-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.93
Rot. Bonds4

About 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile

2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile (PubChem CID 103760699) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile
PubChem CID103760699
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile
SMILESCC(C1CC1)N(C)Cc1cc(F)ccc1C#N
InChIInChI=1S/C14H17FN2/c1-10(11-3-4-11)17(2)9-13-7-14(15)6-5-12(13)8-16/h5-7,10-11H,3-4,9H2,1-2H3
InChIKeyBXZSIVNEWKTBAS-UHFFFAOYSA-N
XLogP2.93
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760632
4-fluoro-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]benzonitrile
CID 103760660
2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760538
4-fluoro-2-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 103760781
2-[(2,2-dicyclopropylethylamino)methyl]-4-fluorobenzonitrile
CID 107904450
2-[(1-cyclopropylpropan-2-ylamino)methyl]-4-fluorobenzonitrile
CID 107904345
2-(bromomethyl)-4-fluorobenzonitrile;ethane
CID 144867775
4-fluoro-2-(propan-2-yloxymethyl)benzonitrile
CID 107903297
2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 63290799
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 104982822

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile (CID 103760699) is 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile is CC(C1CC1)N(C)Cc1cc(F)ccc1C#N.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile?
The InChIKey is BXZSIVNEWKTBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10(11-3-4-11)17(2)9-13-7-14(15)6-5-12(13)8-16/h5-7,10-11H,3-4,9H2,1-2H3.
What are the key properties of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile?
2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile has a molecular weight of 232.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 103760699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).