4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile

C15H17FN2 — CID 62733661

IUPAC4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(NCC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C15H17FN2/c16-14-7-11(8-17)2-4-15(14)18-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13,18H,1,3,5-6,9H2
InChIKeySNJVKNJMQZGTIX-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.55
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile

4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile (PubChem CID 62733661) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile
PubChem CID62733661
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(NCC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C15H17FN2/c16-14-7-11(8-17)2-4-15(14)18-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13,18H,1,3,5-6,9H2
InChIKeySNJVKNJMQZGTIX-UHFFFAOYSA-N
XLogP3.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177
3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418639
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
CID 63683697
2-(2-bicyclo[2.2.1]heptanylmethylamino)-4-chlorobenzonitrile
CID 63683527
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
CID 79554094
3-fluoro-4-(oxolan-3-ylmethylamino)benzonitrile
CID 61040182
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
CID 79554345
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 63684150
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259258
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 63682953

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile (CID 62733661) is 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile is N#Cc1ccc(NCC2CC3CCC2C3)c(F)c1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile?
The InChIKey is SNJVKNJMQZGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-14-7-11(8-17)2-4-15(14)18-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13,18H,1,3,5-6,9H2.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile?
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile has a molecular weight of 244.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile is sourced from PubChem (CID 62733661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).