N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline

C14H17BrClN — CID 79554670

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
SMILESClc1cc(Br)ccc1NCC1CC2CCC1C2
InChIInChI=1S/C14H17BrClN/c15-12-3-4-14(13(16)7-12)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2
InChIKeyDRDUSQVLUOBRLF-UHFFFAOYSA-N
MW314.65 g/mol
LogP4.95
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline (PubChem CID 79554670) has the molecular formula C14H17BrClN and a molecular weight of 314.65 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
PubChem CID79554670
Molecular FormulaC14H17BrClN
Molecular Weight314.65 g/mol
Exact Mass313.02
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
SMILESClc1cc(Br)ccc1NCC1CC2CCC1C2
InChIInChI=1S/C14H17BrClN/c15-12-3-4-14(13(16)7-12)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2
InChIKeyDRDUSQVLUOBRLF-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.65
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
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)-4-bromo-2,6-dichloroaniline
CID 79554344
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
CID 63683697
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,5-difluoroaniline
CID 107611175
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
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-3-methylaniline
CID 114252026

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline (CID 79554670) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline is Clc1cc(Br)ccc1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline?
The InChIKey is DRDUSQVLUOBRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN/c15-12-3-4-14(13(16)7-12)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline has a molecular weight of 314.65 g/mol, XLogP of 4.95, 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-chloroaniline is sourced from PubChem (CID 79554670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).