2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol

C29H24N2O2 — CID 137225743

IUPAC2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N\c2ccccc2N(C)c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C29H24N2O2/c1-31(29-24-11-5-3-9-20(24)17-21-10-4-6-12-25(21)29)27-14-8-7-13-26(27)30-19-22-18-23(33-2)15-16-28(22)32/h3-19,32H,1-2H3/b30-19-
InChIKeyYVYKEGXSJVXXPF-FSGOGVSDSA-N
MW432.52 g/mol
LogP7.23
Rot. Bonds5

About 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol

2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol (PubChem CID 137225743) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol
PubChem CID137225743
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC Name2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N\c2ccccc2N(C)c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C29H24N2O2/c1-31(29-24-11-5-3-9-20(24)17-21-10-4-6-12-25(21)29)27-14-8-7-13-26(27)30-19-22-18-23(33-2)15-16-28(22)32/h3-19,32H,1-2H3/b30-19-
InChIKeyYVYKEGXSJVXXPF-FSGOGVSDSA-N
XLogP7.23
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
CID 135595645
2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol
CID 137224260
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
3-benzyl-1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1-methylthiourea
CID 135784511

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol (CID 137225743) is 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N\c2ccccc2N(C)c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol?
The InChIKey is YVYKEGXSJVXXPF-FSGOGVSDSA-N. The full InChI is InChI=1S/C29H24N2O2/c1-31(29-24-11-5-3-9-20(24)17-21-10-4-6-12-25(21)29)27-14-8-7-13-26(27)30-19-22-18-23(33-2)15-16-28(22)32/h3-19,32H,1-2H3/b30-19-.
What are the key properties of 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol?
2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol has a molecular weight of 432.52 g/mol, XLogP of 7.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 137225743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).