2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol

C22H25N5O2 — CID 135851468

IUPAC2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/N=C(\c2ccccc2)C23CN4CN(CN(C4)C2)C3)c1O
InChIInChI=1S/C22H25N5O2/c1-29-19-9-5-8-18(20(19)28)10-23-24-21(17-6-3-2-4-7-17)22-11-25-14-26(12-22)16-27(13-22)15-25/h2-10,28H,11-16H2,1H3/b23-10+,24-21+
InChIKeyVZFNGYDENLSAIB-HKPXGLIESA-N
MW391.48 g/mol
LogP2.03
Rot. Bonds5

About 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol

2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol (PubChem CID 135851468) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol
PubChem CID135851468
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/N=C(\c2ccccc2)C23CN4CN(CN(C4)C2)C3)c1O
InChIInChI=1S/C22H25N5O2/c1-29-19-9-5-8-18(20(19)28)10-23-24-21(17-6-3-2-4-7-17)22-11-25-14-26(12-22)16-27(13-22)15-25/h2-10,28H,11-16H2,1H3/b23-10+,24-21+
InChIKeyVZFNGYDENLSAIB-HKPXGLIESA-N
XLogP2.03
TPSA63.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
CID 46501384
N-[(2-bromophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
CID 1369192
N-[(2,6-dichlorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
CID 1379573
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
N-[(2-chloro-6-fluorophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
CID 1379574
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
manganese(2+);2-methanehydrazonoyl-6-methoxyphenol;dichloride
CID 162116939
cis-(3R,4S)-3,4-bis[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclopentane-1-carboxylic acid
CID 136862306

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol (CID 135851468) is 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol is COc1cccc(/C=N/N=C(\c2ccccc2)C23CN4CN(CN(C4)C2)C3)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol?
The InChIKey is VZFNGYDENLSAIB-HKPXGLIESA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-19-9-5-8-18(20(19)28)10-23-24-21(17-6-3-2-4-7-17)22-11-25-14-26(12-22)16-27(13-22)15-25/h2-10,28H,11-16H2,1H3/b23-10+,24-21+.
What are the key properties of 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol?
2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol has a molecular weight of 391.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-[(E)-[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135851468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).