5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile

C15H17FN2 — CID 103758329

IUPAC5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CNC(C2CC2)C2CC2)ccc1F
InChIInChI=1S/C15H17FN2/c16-14-6-1-10(7-13(14)8-17)9-18-15(11-2-3-11)12-4-5-12/h1,6-7,11-12,15,18H,2-5,9H2
InChIKeyABFLBTRQEFLZIO-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.98
Rot. Bonds5

About 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile

5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile (PubChem CID 103758329) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile
PubChem CID103758329
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CNC(C2CC2)C2CC2)ccc1F
InChIInChI=1S/C15H17FN2/c16-14-6-1-10(7-13(14)8-17)9-18-15(11-2-3-11)12-4-5-12/h1,6-7,11-12,15,18H,2-5,9H2
InChIKeyABFLBTRQEFLZIO-UHFFFAOYSA-N
XLogP2.98
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(2-methylpentan-3-ylamino)methyl]benzonitrile
CID 107880125
5-[(2-cyclopropylethylamino)methyl]-2-fluorobenzonitrile
CID 107880286
2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile
CID 75521397
2-fluoro-5-[[(4-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 103859971
2-fluoro-5-[(hexan-2-ylamino)methyl]benzonitrile
CID 114012120
5-[(3-cyclopropylpropylamino)methyl]-2-fluorobenzonitrile
CID 114012165
2-fluoro-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107880338
2-fluoro-5-[(4-methylsulfanylbutan-2-ylamino)methyl]benzonitrile
CID 107880447
2-[(3-cyano-4-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 107880417
5-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-fluorobenzonitrile
CID 106835037
N-[(3-cyano-4-fluorophenyl)methyl]formamide
CID 87090895
5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile
CID 107880389

Frequently Asked Questions

What is the IUPAC name of 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile (CID 103758329) is 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile is N#Cc1cc(CNC(C2CC2)C2CC2)ccc1F.
What is the InChIKey of 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile?
The InChIKey is ABFLBTRQEFLZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-14-6-1-10(7-13(14)8-17)9-18-15(11-2-3-11)12-4-5-12/h1,6-7,11-12,15,18H,2-5,9H2.
What are the key properties of 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile?
5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile has a molecular weight of 244.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 103758329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).