N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine

C23H31NO — CID 23343862

IUPACN-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine
SMILESCCCCC(CC)C/N=C/c1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C23H31NO/c1-4-6-9-20(5-2)16-24-17-21-11-13-23(14-12-21)25-18-22-10-7-8-19(3)15-22/h7-8,10-15,17,20H,4-6,9,16,18H2,1-3H3/b24-17+
InChIKeyNRGDGPSFYFSDLO-JJIBRWJFSA-N
MW337.51 g/mol
LogP6.21
Rot. Bonds10

About N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine

N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine (PubChem CID 23343862) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine
PubChem CID23343862
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC NameN-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine
SMILESCCCCC(CC)C/N=C/c1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C23H31NO/c1-4-6-9-20(5-2)16-24-17-21-11-13-23(14-12-21)25-18-22-10-7-8-19(3)15-22/h7-8,10-15,17,20H,4-6,9,16,18H2,1-3H3/b24-17+
InChIKeyNRGDGPSFYFSDLO-JJIBRWJFSA-N
XLogP6.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.21
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-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 23343872
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354
1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine
CID 92541995
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
1,4-bis(2-ethylhexoxy)-2,5-bis[(E)-2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 101390382
N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
CID 145260574
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
1-(2-butylheptyl)-3-methylbenzene
CID 91430281
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
1-methyl-3-[[4-[(E)-2-nitroethenyl]phenoxy]methyl]benzene
CID 974554
4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339795

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine (CID 23343862) is N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine is CCCCC(CC)C/N=C/c1ccc(OCc2cccc(C)c2)cc1.
What is the InChIKey of N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine?
The InChIKey is NRGDGPSFYFSDLO-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H31NO/c1-4-6-9-20(5-2)16-24-17-21-11-13-23(14-12-21)25-18-22-10-7-8-19(3)15-22/h7-8,10-15,17,20H,4-6,9,16,18H2,1-3H3/b24-17+.
What are the key properties of N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine?
N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine has a molecular weight of 337.51 g/mol, XLogP of 6.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 23343862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).