N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine

C24H27Cl2N3 — CID 15149386

IUPACN-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCN(CCc1ccc(Cl)c(Cl)c1)CCN1C2CCC1c1c([nH]c3ccccc13)C2
InChIInChI=1S/C24H27Cl2N3/c1-28(11-10-16-6-8-19(25)20(26)14-16)12-13-29-17-7-9-23(29)24-18-4-2-3-5-21(18)27-22(24)15-17/h2-6,8,14,17,23,27H,7,9-13,15H2,1H3
InChIKeyORNKWELBWBJVHW-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.71
Rot. Bonds6

About N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine

N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine (PubChem CID 15149386) has the molecular formula C24H27Cl2N3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine
PubChem CID15149386
Molecular FormulaC24H27Cl2N3
Molecular Weight428.41 g/mol
Exact Mass427.16
IUPAC NameN-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCN(CCc1ccc(Cl)c(Cl)c1)CCN1C2CCC1c1c([nH]c3ccccc13)C2
InChIInChI=1S/C24H27Cl2N3/c1-28(11-10-16-6-8-19(25)20(26)14-16)12-13-29-17-7-9-23(29)24-18-4-2-3-5-21(18)27-22(24)15-17/h2-6,8,14,17,23,27H,7,9-13,15H2,1H3
InChIKeyORNKWELBWBJVHW-UHFFFAOYSA-N
XLogP5.71
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine?
The IUPAC name of N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine (CID 15149386) is N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine is CN(CCc1ccc(Cl)c(Cl)c1)CCN1C2CCC1c1c([nH]c3ccccc13)C2.
What is the InChIKey of N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine?
The InChIKey is ORNKWELBWBJVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3/c1-28(11-10-16-6-8-19(25)20(26)14-16)12-13-29-17-7-9-23(29)24-18-4-2-3-5-21(18)27-22(24)15-17/h2-6,8,14,17,23,27H,7,9-13,15H2,1H3.
What are the key properties of N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine?
N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine has a molecular weight of 428.41 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 15149386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).