1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine

C19H22N2O4 — CID 74408432

IUPAC1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine
SMILESCCC(C(/N=C/c1ccc(OC)cc1)c1ccc(OC)cc1)[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-4-18(21(22)23)19(15-7-11-17(25-3)12-8-15)20-13-14-5-9-16(24-2)10-6-14/h5-13,18-19H,4H2,1-3H3/b20-13+
InChIKeyLYDOIXGZDPFCJD-DEDYPNTBSA-N
MW342.40 g/mol
LogP3.92
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine

1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine (PubChem CID 74408432) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine
PubChem CID74408432
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine
SMILESCCC(C(/N=C/c1ccc(OC)cc1)c1ccc(OC)cc1)[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-4-18(21(22)23)19(15-7-11-17(25-3)12-8-15)20-13-14-5-9-16(24-2)10-6-14/h5-13,18-19H,4H2,1-3H3/b20-13+
InChIKeyLYDOIXGZDPFCJD-DEDYPNTBSA-N
XLogP3.92
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate
CID 101131689
1-(2,4-dinitropentan-3-yl)-4-methoxybenzene
CID 14176835
(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 43916276
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine
CID 11057576
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
N-[1-(4-methoxyphenyl)-2-nitrobutyl]-4-methylbenzenesulfonamide
CID 134984786
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
(2S,3S,4R,5S)-3,4,5,6-tetrahydroxy-2-[(4-methoxyphenyl)methylideneamino]hexanal
CID 125473879

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine (CID 74408432) is 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine is CCC(C(/N=C/c1ccc(OC)cc1)c1ccc(OC)cc1)[N+](=O)[O-].
What is the InChIKey of 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine?
The InChIKey is LYDOIXGZDPFCJD-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-18(21(22)23)19(15-7-11-17(25-3)12-8-15)20-13-14-5-9-16(24-2)10-6-14/h5-13,18-19H,4H2,1-3H3/b20-13+.
What are the key properties of 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine?
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine has a molecular weight of 342.40 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine is sourced from PubChem (CID 74408432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).