8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine

C23H28Cl2N2O — CID 10273553

IUPAC8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
SMILESCCCN(CCC)c1cc(-c2ccc(Cl)cc2Cl)cc2c1OC1CCNCC21
InChIInChI=1S/C23H28Cl2N2O/c1-3-9-27(10-4-2)21-12-15(17-6-5-16(24)13-20(17)25)11-18-19-14-26-8-7-22(19)28-23(18)21/h5-6,11-13,19,22,26H,3-4,7-10,14H2,1-2H3
InChIKeyWCKJDMWREREAGC-UHFFFAOYSA-N
MW419.40 g/mol
LogP6.12
Rot. Bonds6

About 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine

8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine (PubChem CID 10273553) has the molecular formula C23H28Cl2N2O and a molecular weight of 419.40 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
PubChem CID10273553
Molecular FormulaC23H28Cl2N2O
Molecular Weight419.40 g/mol
Exact Mass418.16
IUPAC Name8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
SMILESCCCN(CCC)c1cc(-c2ccc(Cl)cc2Cl)cc2c1OC1CCNCC21
InChIInChI=1S/C23H28Cl2N2O/c1-3-9-27(10-4-2)21-12-15(17-6-5-16(24)13-20(17)25)11-18-19-14-26-8-7-22(19)28-23(18)21/h5-6,11-13,19,22,26H,3-4,7-10,14H2,1-2H3
InChIKeyWCKJDMWREREAGC-UHFFFAOYSA-N
XLogP6.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine?
The IUPAC name of 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine (CID 10273553) is 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine is CCCN(CCC)c1cc(-c2ccc(Cl)cc2Cl)cc2c1OC1CCNCC21.
What is the InChIKey of 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine?
The InChIKey is WCKJDMWREREAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O/c1-3-9-27(10-4-2)21-12-15(17-6-5-16(24)13-20(17)25)11-18-19-14-26-8-7-22(19)28-23(18)21/h5-6,11-13,19,22,26H,3-4,7-10,14H2,1-2H3.
What are the key properties of 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine?
8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine has a molecular weight of 419.40 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine is sourced from PubChem (CID 10273553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).