1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine

C32H32N2O4 — CID 3798775

IUPAC1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)cc4OC)c(C)c3)cc2C)c(OC)c1
InChIInChI=1S/C32H32N2O4/c1-21-15-23(9-13-29(21)33-19-25-7-11-27(35-3)17-31(25)37-5)24-10-14-30(22(2)16-24)34-20-26-8-12-28(36-4)18-32(26)38-6/h7-20H,1-6H3/b33-19+,34-20+
InChIKeyNXQQRTXATGWEHN-ZXHXELASSA-N
MW508.62 g/mol
LogP7.51
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine

1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine (PubChem CID 3798775) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
PubChem CID3798775
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)cc4OC)c(C)c3)cc2C)c(OC)c1
InChIInChI=1S/C32H32N2O4/c1-21-15-23(9-13-29(21)33-19-25-7-11-27(35-3)17-31(25)37-5)24-10-14-30(22(2)16-24)34-20-26-8-12-28(36-4)18-32(26)38-6/h7-20H,1-6H3/b33-19+,34-20+
InChIKeyNXQQRTXATGWEHN-ZXHXELASSA-N
XLogP7.51
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine
CID 126104574
N'-(4-methoxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25767
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
CID 6901787
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
3-[[4-[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]iminomethyl]benzene-1,2-diol
CID 1377771
N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 690776
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
N-[2-methyl-4-[3-methyl-4-(naphthalen-1-ylmethylideneamino)phenyl]phenyl]-1-naphthalen-1-ylmethanimine
CID 2195225
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)methanimine
CID 91664646
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine
CID 126101527

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine (CID 3798775) is 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine is COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)cc4OC)c(C)c3)cc2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine?
The InChIKey is NXQQRTXATGWEHN-ZXHXELASSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-21-15-23(9-13-29(21)33-19-25-7-11-27(35-3)17-31(25)37-5)24-10-14-30(22(2)16-24)34-20-26-8-12-28(36-4)18-32(26)38-6/h7-20H,1-6H3/b33-19+,34-20+.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine?
1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine has a molecular weight of 508.62 g/mol, XLogP of 7.51, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine is sourced from PubChem (CID 3798775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).