2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol

C24H27ClN2O — CID 59285351

IUPAC2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C24H27ClN2O/c1-15-4-10-20-19(12-15)23-21-11-9-18(26(21)3)13-22(23)27(20)14-24(2,28)16-5-7-17(25)8-6-16/h4-8,10,12,18,21,28H,9,11,13-14H2,1-3H3
InChIKeyWBGAKEIDFLXFQV-UHFFFAOYSA-N
MW394.95 g/mol
LogP5.20
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol

2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol (PubChem CID 59285351) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol
PubChem CID59285351
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C24H27ClN2O/c1-15-4-10-20-19(12-15)23-21-11-9-18(26(21)3)13-22(23)27(20)14-24(2,28)16-5-7-17(25)8-6-16/h4-8,10,12,18,21,28H,9,11,13-14H2,1-3H3
InChIKeyWBGAKEIDFLXFQV-UHFFFAOYSA-N
XLogP5.20
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol (CID 59285351) is 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(Cl)cc2)CC2CCC1N2C.
What is the InChIKey of 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol?
The InChIKey is WBGAKEIDFLXFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O/c1-15-4-10-20-19(12-15)23-21-11-9-18(26(21)3)13-22(23)27(20)14-24(2,28)16-5-7-17(25)8-6-16/h4-8,10,12,18,21,28H,9,11,13-14H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol?
2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol has a molecular weight of 394.95 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol is sourced from PubChem (CID 59285351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).