4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine

C8H8ClN — CID 89270451

IUPAC4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine
SMILESNC1Cc2ccc(Cl)c1c2
InChIInChI=1S/C8H8ClN/c9-7-2-1-5-3-6(7)8(10)4-5/h1-3,8H,4,10H2
InChIKeyZYLQPDCEHZCAET-UHFFFAOYSA-N
MW153.61 g/mol
LogP1.90
Rot. Bonds

About 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine

4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine (PubChem CID 89270451) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine.

Molecular Properties

Compound Name4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine
PubChem CID89270451
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine
SMILESNC1Cc2ccc(Cl)c1c2
InChIInChI=1S/C8H8ClN/c9-7-2-1-5-3-6(7)8(10)4-5/h1-3,8H,4,10H2
InChIKeyZYLQPDCEHZCAET-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine?
The IUPAC name of 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine (CID 89270451) is 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine.
What is the SMILES notation for 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine?
The canonical SMILES for 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine is NC1Cc2ccc(Cl)c1c2.
What is the InChIKey of 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine?
The InChIKey is ZYLQPDCEHZCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c9-7-2-1-5-3-6(7)8(10)4-5/h1-3,8H,4,10H2.
What are the key properties of 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine?
4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine has a molecular weight of 153.61 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobicyclo[3.2.1]octa-1(8),2,4-trien-6-amine is sourced from PubChem (CID 89270451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).