[5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine

C24H29F2NO — CID 142215401

IUPAC[5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine
SMILES[H]/N=C/c1cc(-c2cc3c(cc2C)C(C)(CC)CCC3(C)C)c(OC)c(F)c1F
InChIInChI=1S/C24H29F2NO/c1-7-24(5)9-8-23(3,4)18-12-16(14(2)10-19(18)24)17-11-15(13-27)20(25)21(26)22(17)28-6/h10-13,27H,7-9H2,1-6H3/b27-13+
InChIKeyPUWYCDITOYNOMJ-UVHMKAGCSA-N
MW385.50 g/mol
LogP6.69
Rot. Bonds4

About [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine

[5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine (PubChem CID 142215401) has the molecular formula C24H29F2NO and a molecular weight of 385.50 g/mol. Its IUPAC name is [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine.

Molecular Properties

Compound Name[5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine
PubChem CID142215401
Molecular FormulaC24H29F2NO
Molecular Weight385.50 g/mol
Exact Mass385.22
IUPAC Name[5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine
SMILES[H]/N=C/c1cc(-c2cc3c(cc2C)C(C)(CC)CCC3(C)C)c(OC)c(F)c1F
InChIInChI=1S/C24H29F2NO/c1-7-24(5)9-8-23(3,4)18-12-16(14(2)10-19(18)24)17-11-15(13-27)20(25)21(26)22(17)28-6/h10-13,27H,7-9H2,1-6H3/b27-13+
InChIKeyPUWYCDITOYNOMJ-UVHMKAGCSA-N
XLogP6.69
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene
CID 142986955
acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine
CID 142215384
2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 141035604
6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 90715574
5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol
CID 59065283
5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69461321
5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]imidazolidine-2,4-dione
CID 23560016
3-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10195222
5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23559987
5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione
CID 91210974
(5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;propane
CID 142047249
4-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 91512296

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine?
The IUPAC name of [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine (CID 142215401) is [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine.
What is the SMILES notation for [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine?
The canonical SMILES for [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine is [H]/N=C/c1cc(-c2cc3c(cc2C)C(C)(CC)CCC3(C)C)c(OC)c(F)c1F.
What is the InChIKey of [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine?
The InChIKey is PUWYCDITOYNOMJ-UVHMKAGCSA-N. The full InChI is InChI=1S/C24H29F2NO/c1-7-24(5)9-8-23(3,4)18-12-16(14(2)10-19(18)24)17-11-15(13-27)20(25)21(26)22(17)28-6/h10-13,27H,7-9H2,1-6H3/b27-13+.
What are the key properties of [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine?
[5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine has a molecular weight of 385.50 g/mol, XLogP of 6.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine is sourced from PubChem (CID 142215401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).