2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile

C15H17ClN2 — CID 63683697

IUPAC2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1NCC1CC2CCC1C2
InChIInChI=1S/C15H17ClN2/c16-14-3-4-15(12(7-14)8-17)18-9-13-6-10-1-2-11(13)5-10/h3-4,7,10-11,13,18H,1-2,5-6,9H2
InChIKeyOVHZECONPGQRMJ-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile

2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile (PubChem CID 63683697) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
PubChem CID63683697
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1NCC1CC2CCC1C2
InChIInChI=1S/C15H17ClN2/c16-14-3-4-15(12(7-14)8-17)18-9-13-6-10-1-2-11(13)5-10/h3-4,7,10-11,13,18H,1-2,5-6,9H2
InChIKeyOVHZECONPGQRMJ-UHFFFAOYSA-N
XLogP4.06
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)-4-chlorobenzonitrile
CID 63683527
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile
CID 62733661
2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile
CID 107057745
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
CID 79554670
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
CID 79554345
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
5-chloro-2-[(4-methylcyclohexyl)methylamino]benzonitrile
CID 63511523
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
CID 79554094
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648977

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile (CID 63683697) is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile is N#Cc1cc(Cl)ccc1NCC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile?
The InChIKey is OVHZECONPGQRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-14-3-4-15(12(7-14)8-17)18-9-13-6-10-1-2-11(13)5-10/h3-4,7,10-11,13,18H,1-2,5-6,9H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile?
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile has a molecular weight of 260.77 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile is sourced from PubChem (CID 63683697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).