4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine

C19H24Cl2N2 — CID 51040019

IUPAC4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine
SMILESCCCCCCNc1cc(Cl)c2nc3c(c(Cl)c2c1)CCCC3
InChIInChI=1S/C19H24Cl2N2/c1-2-3-4-7-10-22-13-11-15-18(21)14-8-5-6-9-17(14)23-19(15)16(20)12-13/h11-12,22H,2-10H2,1H3
InChIKeyJPABNBLCNSYNOL-UHFFFAOYSA-N
MW351.32 g/mol
LogP6.41
Rot. Bonds6

About 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine

4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine (PubChem CID 51040019) has the molecular formula C19H24Cl2N2 and a molecular weight of 351.32 g/mol. Its IUPAC name is 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine.

Molecular Properties

Compound Name4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine
PubChem CID51040019
Molecular FormulaC19H24Cl2N2
Molecular Weight351.32 g/mol
Exact Mass350.13
IUPAC Name4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine
SMILESCCCCCCNc1cc(Cl)c2nc3c(c(Cl)c2c1)CCCC3
InChIInChI=1S/C19H24Cl2N2/c1-2-3-4-7-10-22-13-11-15-18(21)14-8-5-6-9-17(14)23-19(15)16(20)12-13/h11-12,22H,2-10H2,1H3
InChIKeyJPABNBLCNSYNOL-UHFFFAOYSA-N
XLogP6.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.32
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine?
The IUPAC name of 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine (CID 51040019) is 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine.
What is the SMILES notation for 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine?
The canonical SMILES for 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine is CCCCCCNc1cc(Cl)c2nc3c(c(Cl)c2c1)CCCC3.
What is the InChIKey of 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine?
The InChIKey is JPABNBLCNSYNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2/c1-2-3-4-7-10-22-13-11-15-18(21)14-8-5-6-9-17(14)23-19(15)16(20)12-13/h11-12,22H,2-10H2,1H3.
What are the key properties of 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine?
4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine has a molecular weight of 351.32 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dichloro-N-hexyl-5,6,7,8-tetrahydroacridin-2-amine is sourced from PubChem (CID 51040019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).