5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine

C15H23NO2 — CID 174427521

IUPAC5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine
SMILES[H]/N=C(\C)CCCc1cc(OC)c(CC)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-5-13-14(17-3)9-12(10-15(13)18-4)8-6-7-11(2)16/h9-10,16H,5-8H2,1-4H3/b16-11+
InChIKeyNSACCMZOSGWWJY-LFIBNONCSA-N
MW249.35 g/mol
LogP3.63
Rot. Bonds7

About 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine

5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine (PubChem CID 174427521) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine.

Molecular Properties

Compound Name5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine
PubChem CID174427521
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine
SMILES[H]/N=C(\C)CCCc1cc(OC)c(CC)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-5-13-14(17-3)9-12(10-15(13)18-4)8-6-7-11(2)16/h9-10,16H,5-8H2,1-4H3/b16-11+
InChIKeyNSACCMZOSGWWJY-LFIBNONCSA-N
XLogP3.63
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-methoxy-5-pentylphenol
CID 123850544
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
5-[4-(4-pentylphenyl)phenyl]pentan-2-imine
CID 170077032
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
4-[4-[[4-(4-iminopentyl)phenoxy]methoxy]phenyl]butanimidamide
CID 90128678
3-(3-bromo-4-ethyl-5-methoxyphenyl)propanal
CID 117430397
2,6-dimethoxy-4-pentylphenol
CID 22625510
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
CID 146002715
4-(3-tert-butyl-5-ethylphenyl)butanimidamide
CID 70646233
3-methoxy-2-pentyl-5-propylphenol
CID 134929797
4-(5-ethyl-2-methylphenyl)butan-2-imine
CID 137467922

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine?
The IUPAC name of 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine (CID 174427521) is 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine.
What is the SMILES notation for 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine?
The canonical SMILES for 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine is [H]/N=C(\C)CCCc1cc(OC)c(CC)c(OC)c1.
What is the InChIKey of 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine?
The InChIKey is NSACCMZOSGWWJY-LFIBNONCSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-13-14(17-3)9-12(10-15(13)18-4)8-6-7-11(2)16/h9-10,16H,5-8H2,1-4H3/b16-11+.
What are the key properties of 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine?
5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine has a molecular weight of 249.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-3,5-dimethoxyphenyl)pentan-2-imine is sourced from PubChem (CID 174427521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).