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

C26H22FNO — CID 126218669

IUPACN-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1C
InChIInChI=1S/C26H22FNO/c1-18-11-13-22(15-19(18)2)28-16-24-23-9-5-3-7-20(23)12-14-26(24)29-17-21-8-4-6-10-25(21)27/h3-16H,17H2,1-2H3/b28-16+
InChIKeyMLNWQHWJYVFAMM-LQKURTRISA-N
MW383.47 g/mol
LogP6.93
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine (PubChem CID 126218669) has the molecular formula C26H22FNO and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
PubChem CID126218669
Molecular FormulaC26H22FNO
Molecular Weight383.47 g/mol
Exact Mass383.17
IUPAC NameN-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1C
InChIInChI=1S/C26H22FNO/c1-18-11-13-22(15-19(18)2)28-16-24-23-9-5-3-7-20(23)12-14-26(24)29-17-21-8-4-6-10-25(21)27/h3-16H,17H2,1-2H3/b28-16+
InChIKeyMLNWQHWJYVFAMM-LQKURTRISA-N
XLogP6.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126223343
1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217862
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126214636
N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126217476
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 1018502
1-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
2-tert-butyl-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-methyl-1,3-dioxane-4,6-dione
CID 5061999
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 3940132

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine (CID 126218669) is N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine is Cc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine?
The InChIKey is MLNWQHWJYVFAMM-LQKURTRISA-N. The full InChI is InChI=1S/C26H22FNO/c1-18-11-13-22(15-19(18)2)28-16-24-23-9-5-3-7-20(23)12-14-26(24)29-17-21-8-4-6-10-25(21)27/h3-16H,17H2,1-2H3/b28-16+.
What are the key properties of N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine?
N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine has a molecular weight of 383.47 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine is sourced from PubChem (CID 126218669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).