N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine

C26H22N2O3 — CID 126217476

IUPACN-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1C
InChIInChI=1S/C26H22N2O3/c1-18-7-11-22(15-19(18)2)27-16-25-24-6-4-3-5-21(24)10-14-26(25)31-17-20-8-12-23(13-9-20)28(29)30/h3-16H,17H2,1-2H3/b27-16+
InChIKeyMSXBAUPGFVKBKN-JVWAILMASA-N
MW410.47 g/mol
LogP6.69
Rot. Bonds6

About N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine

N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine (PubChem CID 126217476) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine
PubChem CID126217476
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1C
InChIInChI=1S/C26H22N2O3/c1-18-7-11-22(15-19(18)2)27-16-25-24-6-4-3-5-21(24)10-14-26(25)31-17-20-8-12-23(13-9-20)28(29)30/h3-16H,17H2,1-2H3/b27-16+
InChIKeyMSXBAUPGFVKBKN-JVWAILMASA-N
XLogP6.69
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 56.69
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

2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
CID 882524
N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126218669
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine
CID 126225989
CID 89247177
CID 89247177
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
CID 110842100
2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline
CID 5182434
1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine
CID 932242
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 4276527
1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
CID 126208478
N-[(E)-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-propoxybenzamide
CID 133169847
(1R,2S,6R,7R)-4-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126412017
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine (CID 126217476) is N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine is Cc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine?
The InChIKey is MSXBAUPGFVKBKN-JVWAILMASA-N. The full InChI is InChI=1S/C26H22N2O3/c1-18-7-11-22(15-19(18)2)27-16-25-24-6-4-3-5-21(24)10-14-26(25)31-17-20-8-12-23(13-9-20)28(29)30/h3-16H,17H2,1-2H3/b27-16+.
What are the key properties of N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine?
N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine has a molecular weight of 410.47 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine is sourced from PubChem (CID 126217476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).