9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

C22H27ClN2O — CID 142758428

About 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (PubChem CID 142758428) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.

Molecular Properties

• Compound Name: 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
• PubChem CID: 142758428
• Molecular Formula: C22H27ClN2O
• Molecular Weight: 370.92 g/mol
• Exact Mass: 370.18
• IUPAC Name: 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
• SMILES: COc1cc2c(cc1Cl)CCN1CC(c3cc(C)ccc3C)C(N)CC21
• InChI: InChI=1S/C22H27ClN2O/c1-13-4-5-14(2)16(8-13)18-12-25-7-6-15-9-19(23)22(26-3)10-17(15)21(25)11-20(18)24/h4-5,8-10,18,20-21H,6-7,11-12,24H2,1-3H3
• InChIKey: NRDDZNXMSYHRNB-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.92
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?

The IUPAC name of 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (CID 142758428) is 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.

What is the SMILES notation for 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?

The canonical SMILES for 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is COc1cc2c(cc1Cl)CCN1CC(c3cc(C)ccc3C)C(N)CC21.

What is the InChIKey of 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?

The InChIKey is NRDDZNXMSYHRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-13-4-5-14(2)16(8-13)18-12-25-7-6-15-9-19(23)22(26-3)10-17(15)21(25)11-20(18)24/h4-5,8-10,18,20-21H,6-7,11-12,24H2,1-3H3.

What are the key properties of 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?

9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine has a molecular weight of 370.92 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-chloro-3-(2,5-dimethylphenyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is sourced from PubChem (CID 142758428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).