4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile

C16H19ClN2 — CID 63682489

IUPAC4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile
SMILESCN(CC1CC2CCC1C2)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-19(10-14-7-11-2-3-12(14)6-11)15-5-4-13(9-18)16(17)8-15/h4-5,8,11-12,14H,2-3,6-7,10H2,1H3
InChIKeyUIVLVZLIJFQCFZ-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.08
Rot. Bonds3

About 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile (PubChem CID 63682489) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile
PubChem CID63682489
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile
SMILESCN(CC1CC2CCC1C2)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-19(10-14-7-11-2-3-12(14)6-11)15-5-4-13(9-18)16(17)8-15/h4-5,8,11-12,14H,2-3,6-7,10H2,1H3
InChIKeyUIVLVZLIJFQCFZ-UHFFFAOYSA-N
XLogP4.08
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[cyclopentylmethyl(methyl)amino]benzonitrile
CID 63657360
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,3-difluorobenzonitrile
CID 107933828
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
CID 115366879
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-chlorobenzaldehyde
CID 81145193
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 106788229
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 62944238
4-(2-aminopropyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63794333
2-chloro-4-[2-cyanopropyl(methyl)amino]benzonitrile
CID 62944337
2-(2-bicyclo[2.2.1]heptanylmethylamino)-4-chlorobenzonitrile
CID 63683527
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine
CID 63686843
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine
CID 104534658
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide
CID 62982751

Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile?
The IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile (CID 63682489) is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile?
The canonical SMILES for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile is CN(CC1CC2CCC1C2)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile?
The InChIKey is UIVLVZLIJFQCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-19(10-14-7-11-2-3-12(14)6-11)15-5-4-13(9-18)16(17)8-15/h4-5,8,11-12,14H,2-3,6-7,10H2,1H3.
What are the key properties of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile?
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile has a molecular weight of 274.79 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-chlorobenzonitrile is sourced from PubChem (CID 63682489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).