1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine

C27H21N3O — CID 134944124

IUPAC1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine
SMILESCc1ccc(COc2ccc(/C=N/c3cc4cccnc4c4ncccc34)cc2)cc1
InChIInChI=1S/C27H21N3O/c1-19-6-8-21(9-7-19)18-31-23-12-10-20(11-13-23)17-30-25-16-22-4-2-14-28-26(22)27-24(25)5-3-15-29-27/h2-17H,18H2,1H3/b30-17+
InChIKeySVSCILYACZFHOL-OCSSWDANSA-N
MW403.49 g/mol
LogP6.42
Rot. Bonds5

About 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine

1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine (PubChem CID 134944124) has the molecular formula C27H21N3O and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine
PubChem CID134944124
Molecular FormulaC27H21N3O
Molecular Weight403.49 g/mol
Exact Mass403.17
IUPAC Name1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine
SMILESCc1ccc(COc2ccc(/C=N/c3cc4cccnc4c4ncccc34)cc2)cc1
InChIInChI=1S/C27H21N3O/c1-19-6-8-21(9-7-19)18-31-23-12-10-20(11-13-23)17-30-25-16-22-4-2-14-28-26(22)27-24(25)5-3-15-29-27/h2-17H,18H2,1H3/b30-17+
InChIKeySVSCILYACZFHOL-OCSSWDANSA-N
XLogP6.42
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline
CID 57780008
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
(3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-N-(quinolin-7-ylmethyl)piperidin-3-amine
CID 23647858
{3-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-propyl}-quinolin-4-yl-amine; Oxalic acid
CID 10949464
8-[4-[4-[4-[3-(Azepan-1-yl)propoxy]phenyl]butyl]piperazin-1-yl]quinoline
CID 134136763
8-[4-[3-[4-[3-(Azepan-1-yl)propoxy]phenyl]propyl]piperazin-1-yl]quinoline
CID 134139893
2-(4-Butoxyphenyl)quinoxaline
CID 1739003
2-(2-Isoquinolin-7-yloxyethyl)quinoline
CID 24946059
2-((2'-(Pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline
CID 44546588
4,7-Dimethoxy-1,10-phenanthroline
CID 10462298
1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine
CID 4225285
N-[(1E)-(4-methoxyphenyl)methylene]quinolin-5-amine
CID 4389513

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine?
The IUPAC name of 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine (CID 134944124) is 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine.
What is the SMILES notation for 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine?
The canonical SMILES for 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine is Cc1ccc(COc2ccc(/C=N/c3cc4cccnc4c4ncccc34)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine?
The InChIKey is SVSCILYACZFHOL-OCSSWDANSA-N. The full InChI is InChI=1S/C27H21N3O/c1-19-6-8-21(9-7-19)18-31-23-12-10-20(11-13-23)17-30-25-16-22-4-2-14-28-26(22)27-24(25)5-3-15-29-27/h2-17H,18H2,1H3/b30-17+.
What are the key properties of 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine?
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine has a molecular weight of 403.49 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(1,10-phenanthrolin-5-yl)methanimine is sourced from PubChem (CID 134944124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).