6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

C23H22N2O — CID 135592993

IUPAC6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESNc1ccccc1/N=C/c1c2ccc(c1O)CCc1ccc(cc1)CC2
InChIInChI=1S/C23H22N2O/c24-21-3-1-2-4-22(21)25-15-20-18-11-9-16-5-7-17(8-6-16)10-12-19(14-13-18)23(20)26/h1-8,13-15,26H,9-12,24H2/b25-15+
InChIKeyYTJWZWZEPXRPKQ-MFKUBSTISA-N
MW342.44 g/mol
LogP4.61
Rot. Bonds2

About 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (PubChem CID 135592993) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.

Molecular Properties

Compound Name6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
PubChem CID135592993
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESNc1ccccc1/N=C/c1c2ccc(c1O)CCc1ccc(cc1)CC2
InChIInChI=1S/C23H22N2O/c24-21-3-1-2-4-22(21)25-15-20-18-11-9-16-5-7-17(8-6-16)10-12-19(14-13-18)23(20)26/h1-8,13-15,26H,9-12,24H2/b25-15+
InChIKeyYTJWZWZEPXRPKQ-MFKUBSTISA-N
XLogP4.61
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The IUPAC name of 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (CID 135592993) is 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.
What is the SMILES notation for 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The canonical SMILES for 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is Nc1ccccc1/N=C/c1c2ccc(c1O)CCc1ccc(cc1)CC2.
What is the InChIKey of 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The InChIKey is YTJWZWZEPXRPKQ-MFKUBSTISA-N. The full InChI is InChI=1S/C23H22N2O/c24-21-3-1-2-4-22(21)25-15-20-18-11-9-16-5-7-17(8-6-16)10-12-19(14-13-18)23(20)26/h1-8,13-15,26H,9-12,24H2/b25-15+.
What are the key properties of 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol has a molecular weight of 342.44 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is sourced from PubChem (CID 135592993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).