2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile

C15H19FN2 — CID 107114671

IUPAC2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile
SMILESCC1(C)C(NCc2cccc(C#N)c2F)C1(C)C
InChIInChI=1S/C15H19FN2/c1-14(2)13(15(14,3)4)18-9-11-7-5-6-10(8-17)12(11)16/h5-7,13,18H,9H2,1-4H3
InChIKeyLZFQFCMKQUIIDU-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.22
Rot. Bonds3

About 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile

2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile (PubChem CID 107114671) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile
PubChem CID107114671
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile
SMILESCC1(C)C(NCc2cccc(C#N)c2F)C1(C)C
InChIInChI=1S/C15H19FN2/c1-14(2)13(15(14,3)4)18-9-11-7-5-6-10(8-17)12(11)16/h5-7,13,18H,9H2,1-4H3
InChIKeyLZFQFCMKQUIIDU-UHFFFAOYSA-N
XLogP3.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2,2-dimethylcyclopropyl)amino]methyl]-2-fluorobenzonitrile
CID 107114531
3-[(2,6-diethylanilino)methyl]-2-fluorobenzonitrile
CID 107114552
2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 107114810
2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile
CID 107114541
2-fluoro-3-[[(1-propylpiperidin-4-yl)amino]methyl]benzonitrile
CID 107114501
2-fluoro-3-[[(2-hydroxycycloheptyl)amino]methyl]benzonitrile
CID 107114776
3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-2-fluorobenzonitrile
CID 107114657
3-[(butan-2-ylamino)methyl]-2-fluorobenzonitrile
CID 107114325
3-[(cyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 107114329
3-[(1-adamantylamino)methyl]-2-fluorobenzonitrile
CID 107114332
3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile
CID 103580964
2-fluoro-3-[(2-methylpropoxyamino)methyl]benzonitrile
CID 107114750

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile (CID 107114671) is 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile is CC1(C)C(NCc2cccc(C#N)c2F)C1(C)C.
What is the InChIKey of 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile?
The InChIKey is LZFQFCMKQUIIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-14(2)13(15(14,3)4)18-9-11-7-5-6-10(8-17)12(11)16/h5-7,13,18H,9H2,1-4H3.
What are the key properties of 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile?
2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile is sourced from PubChem (CID 107114671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).