N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine

C20H18N2O2 — CID 23967284

IUPACN-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/c2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N2O2/c1-14(2)19-10-7-15(11-20(19)22(23)24)13-21-18-9-8-16-5-3-4-6-17(16)12-18/h3-14H,1-2H3/b21-13+
InChIKeyLKOLPGYRIQABPR-FYJGNVAPSA-N
MW318.38 g/mol
LogP5.62
Rot. Bonds4

About N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine

N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine (PubChem CID 23967284) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine
PubChem CID23967284
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/c2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N2O2/c1-14(2)19-10-7-15(11-20(19)22(23)24)13-21-18-9-8-16-5-3-4-6-17(16)12-18/h3-14H,1-2H3/b21-13+
InChIKeyLKOLPGYRIQABPR-FYJGNVAPSA-N
XLogP5.62
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-[(3-nitro-4-propan-2-ylphenyl)methylideneamino]phenol
CID 23851123
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
(E)-1-(3-nitro-4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5344291
4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
CID 135595089
8-nitro-2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]quinoline
CID 16797010
2-nitro-4-(quinolin-6-yliminomethyl)phenol
CID 137050517
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3951900
4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
CID 137171984
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
4-[(4-methyl-3-nitrophenyl)iminomethyl]-2-nitrophenol
CID 137080578
4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline
CID 102053185

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine?
The IUPAC name of N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine (CID 23967284) is N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine?
The canonical SMILES for N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine is CC(C)c1ccc(/C=N/c2ccc3ccccc3c2)cc1[N+](=O)[O-].
What is the InChIKey of N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine?
The InChIKey is LKOLPGYRIQABPR-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14(2)19-10-7-15(11-20(19)22(23)24)13-21-18-9-8-16-5-3-4-6-17(16)12-18/h3-14H,1-2H3/b21-13+.
What are the key properties of N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine?
N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine has a molecular weight of 318.38 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 23967284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).