N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline

C14H16BrCl2N — CID 79554344

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline
SMILESClc1cc(Br)cc(Cl)c1NCC1CC2CCC1C2
InChIInChI=1S/C14H16BrCl2N/c15-11-5-12(16)14(13(17)6-11)18-7-10-4-8-1-2-9(10)3-8/h5-6,8-10,18H,1-4,7H2
InChIKeyJTCIQTJRKPYNPA-UHFFFAOYSA-N
MW349.10 g/mol
LogP5.60
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline (PubChem CID 79554344) has the molecular formula C14H16BrCl2N and a molecular weight of 349.10 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline
PubChem CID79554344
Molecular FormulaC14H16BrCl2N
Molecular Weight349.10 g/mol
Exact Mass346.98
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline
SMILESClc1cc(Br)cc(Cl)c1NCC1CC2CCC1C2
InChIInChI=1S/C14H16BrCl2N/c15-11-5-12(16)14(13(17)6-11)18-7-10-4-8-1-2-9(10)3-8/h5-6,8-10,18H,1-4,7H2
InChIKeyJTCIQTJRKPYNPA-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.10
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
CID 79554670
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762067
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
CID 79554345
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
CID 79073593
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,5-difluoroaniline
CID 107611175
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine
CID 114478130
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine
CID 102835755
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
CID 63683697

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline (CID 79554344) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline is Clc1cc(Br)cc(Cl)c1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline?
The InChIKey is JTCIQTJRKPYNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrCl2N/c15-11-5-12(16)14(13(17)6-11)18-7-10-4-8-1-2-9(10)3-8/h5-6,8-10,18H,1-4,7H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline has a molecular weight of 349.10 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline is sourced from PubChem (CID 79554344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).