1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine

C16H16N2O5 — CID 778988

IUPAC1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O5/c1-21-13-6-4-12(5-7-13)17-10-11-8-15(22-2)16(23-3)9-14(11)18(19)20/h4-10H,1-3H3/b17-10+
InChIKeyXWIDQDUESRCXOR-LICLKQGHSA-N
MW316.31 g/mol
LogP3.37
Rot. Bonds6

About 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine

1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine (PubChem CID 778988) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine
PubChem CID778988
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O5/c1-21-13-6-4-12(5-7-13)17-10-11-8-15(22-2)16(23-3)9-14(11)18(19)20/h4-10H,1-3H3/b17-10+
InChIKeyXWIDQDUESRCXOR-LICLKQGHSA-N
XLogP3.37
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Mls003170941
CID 334194
4,5-Dimethoxy-2-nitrotoluene
CID 139040
4,5-Dimethoxy-2-nitrophenylacetonitrile
CID 222992
6,7-Dimethoxy-1-(3-nitrophenyl)-3,4-dihydroisoquinoline
CID 872545
4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzyl)piperidine
CID 1377125
4-methyl-3-nitro-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline
CID 1827300
N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline
CID 691620
4,5-Dimethoxy-2-nitrobenzonitrile
CID 1511288
2,5-dimethyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline
CID 693760
4-[({3-Nitro-2-methylphenyl}imino)methyl]-2-methoxyphenyl acetate
CID 708053
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(2-nitrophenyl)-2-propen-1-amine
CID 1376370
3-Methoxy-4-[(4-nitrobenzyl)oxy]benzaldehyde oxime
CID 6898086

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine (CID 778988) is 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine?
The InChIKey is XWIDQDUESRCXOR-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-21-13-6-4-12(5-7-13)17-10-11-8-15(22-2)16(23-3)9-14(11)18(19)20/h4-10H,1-3H3/b17-10+.
What are the key properties of 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine?
1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine has a molecular weight of 316.31 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 778988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).