N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine

C13H15Cl2N — CID 57209830

IUPACN-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine
SMILESClc1cccc(NC23CCC(CC2)C3)c1Cl
InChIInChI=1S/C13H15Cl2N/c14-10-2-1-3-11(12(10)15)16-13-6-4-9(8-13)5-7-13/h1-3,9,16H,4-8H2
InChIKeyOTSIESUMNRIXEE-UHFFFAOYSA-N
MW256.18 g/mol
LogP4.74
Rot. Bonds2

About N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine

N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine (PubChem CID 57209830) has the molecular formula C13H15Cl2N and a molecular weight of 256.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine
PubChem CID57209830
Molecular FormulaC13H15Cl2N
Molecular Weight256.18 g/mol
Exact Mass255.06
IUPAC NameN-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine
SMILESClc1cccc(NC23CCC(CC2)C3)c1Cl
InChIInChI=1S/C13H15Cl2N/c14-10-2-1-3-11(12(10)15)16-13-6-4-9(8-13)5-7-13/h1-3,9,16H,4-8H2
InChIKeyOTSIESUMNRIXEE-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine?
The IUPAC name of N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine (CID 57209830) is N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine is Clc1cccc(NC23CCC(CC2)C3)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine?
The InChIKey is OTSIESUMNRIXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N/c14-10-2-1-3-11(12(10)15)16-13-6-4-9(8-13)5-7-13/h1-3,9,16H,4-8H2.
What are the key properties of N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine?
N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine has a molecular weight of 256.18 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-1-amine is sourced from PubChem (CID 57209830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).