11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine

C21H25ClN2 — CID 12821971

IUPAC11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine
SMILESCN(C)C1CCN2CCc3ccccc3C2(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25ClN2/c1-23(2)19-12-14-24-13-11-16-5-3-4-6-20(16)21(24,15-19)17-7-9-18(22)10-8-17/h3-10,19H,11-15H2,1-2H3
InChIKeyUZCMMZNRVFQFIR-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.17
Rot. Bonds2

About 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine

11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine (PubChem CID 12821971) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine.

Molecular Properties

Compound Name11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine
PubChem CID12821971
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC Name11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine
SMILESCN(C)C1CCN2CCc3ccccc3C2(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25ClN2/c1-23(2)19-12-14-24-13-11-16-5-3-4-6-20(16)21(24,15-19)17-7-9-18(22)10-8-17/h3-10,19H,11-15H2,1-2H3
InChIKeyUZCMMZNRVFQFIR-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine?
The IUPAC name of 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine (CID 12821971) is 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine.
What is the SMILES notation for 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine?
The canonical SMILES for 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine is CN(C)C1CCN2CCc3ccccc3C2(c2ccc(Cl)cc2)C1.
What is the InChIKey of 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine?
The InChIKey is UZCMMZNRVFQFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2/c1-23(2)19-12-14-24-13-11-16-5-3-4-6-20(16)21(24,15-19)17-7-9-18(22)10-8-17/h3-10,19H,11-15H2,1-2H3.
What are the key properties of 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine?
11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine has a molecular weight of 340.90 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine is sourced from PubChem (CID 12821971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).