(Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine

C16H16N2O3 — CID 9354560

IUPAC(Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine
SMILESCc1ccccc1/C=N\O[C@@H](C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O3/c1-12-6-3-4-7-15(12)11-17-21-13(2)14-8-5-9-16(10-14)18(19)20/h3-11,13H,1-2H3/b17-11-/t13-/m0/s1
InChIKeyDFJFOKOSDSAXKV-MFVBVHDHSA-N
MW284.31 g/mol
LogP4.01
Rot. Bonds5

About (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine

(Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine (PubChem CID 9354560) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine
PubChem CID9354560
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine
SMILESCc1ccccc1/C=N\O[C@@H](C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O3/c1-12-6-3-4-7-15(12)11-17-21-13(2)14-8-5-9-16(10-14)18(19)20/h3-11,13H,1-2H3/b17-11-/t13-/m0/s1
InChIKeyDFJFOKOSDSAXKV-MFVBVHDHSA-N
XLogP4.01
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9355492
(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9354689
(Z)-1-(3-methoxy-4-propoxyphenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9355033
N-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596
1,3-dinitrobenzene;2-propan-2-yloxypropane;1,2-xylene
CID 174567098
1-(3-nitrophenyl)ethyl sulfite
CID 174614635
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
1-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044
trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
CID 10636842
1-(1-fluoroethyl)-3-nitrobenzene
CID 139245530
molecular hydrogen;1-nitro-3-propan-2-ylbenzene
CID 167689608
[(1S)-1-(3-nitrophenyl)ethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 8955761

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine?
The IUPAC name of (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine (CID 9354560) is (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine.
What is the SMILES notation for (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine?
The canonical SMILES for (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine is Cc1ccccc1/C=N\O[C@@H](C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine?
The InChIKey is DFJFOKOSDSAXKV-MFVBVHDHSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12-6-3-4-7-15(12)11-17-21-13(2)14-8-5-9-16(10-14)18(19)20/h3-11,13H,1-2H3/b17-11-/t13-/m0/s1.
What are the key properties of (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine?
(Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine has a molecular weight of 284.31 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethoxy]methanimine is sourced from PubChem (CID 9354560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).