9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine

C15H15ClN2 — CID 145292701

IUPAC9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine
SMILESC=Cc1ccc2c(Cl)c3c(nc2c1)CCC(N)C3
InChIInChI=1S/C15H15ClN2/c1-2-9-3-5-11-14(7-9)18-13-6-4-10(17)8-12(13)15(11)16/h2-3,5,7,10H,1,4,6,8,17H2
InChIKeyKSHHCMXWWMIKHT-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.35
Rot. Bonds1

About 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine

9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine (PubChem CID 145292701) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine.

Molecular Properties

Compound Name9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine
PubChem CID145292701
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine
SMILESC=Cc1ccc2c(Cl)c3c(nc2c1)CCC(N)C3
InChIInChI=1S/C15H15ClN2/c1-2-9-3-5-11-14(7-9)18-13-6-4-10(17)8-12(13)15(11)16/h2-3,5,7,10H,1,4,6,8,17H2
InChIKeyKSHHCMXWWMIKHT-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine?
The IUPAC name of 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine (CID 145292701) is 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine.
What is the SMILES notation for 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine?
The canonical SMILES for 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine is C=Cc1ccc2c(Cl)c3c(nc2c1)CCC(N)C3.
What is the InChIKey of 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine?
The InChIKey is KSHHCMXWWMIKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-2-9-3-5-11-14(7-9)18-13-6-4-10(17)8-12(13)15(11)16/h2-3,5,7,10H,1,4,6,8,17H2.
What are the key properties of 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine?
9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine has a molecular weight of 258.75 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-ethenyl-1,2,3,4-tetrahydroacridin-2-amine is sourced from PubChem (CID 145292701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).