N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline

C14H19NO2 — CID 14931345

IUPACN-cyclohex-2-en-1-yl-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC2C=CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-16-12-8-9-14(17-2)13(10-12)15-11-6-4-3-5-7-11/h4,6,8-11,15H,3,5,7H2,1-2H3
InChIKeyJDRZQNCEUYMCHR-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.22
Rot. Bonds4

About N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline

N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline (PubChem CID 14931345) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2,5-dimethoxyaniline
PubChem CID14931345
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-cyclohex-2-en-1-yl-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC2C=CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-16-12-8-9-14(17-2)13(10-12)15-11-6-4-3-5-7-11/h4,6,8-11,15H,3,5,7H2,1-2H3
InChIKeyJDRZQNCEUYMCHR-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline
CID 107906285
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363627
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine
CID 86782266
N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine
CID 3330886
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
2-bromo-N-cyclohex-2-en-1-yl-3-methylaniline
CID 107907589
(6R)-6-(2,5-dimethoxyphenyl)-3,6-dihydro-2H-pyran
CID 134928854
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065392

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline?
The IUPAC name of N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline (CID 14931345) is N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline?
The canonical SMILES for N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline is COc1ccc(OC)c(NC2C=CCCC2)c1.
What is the InChIKey of N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline?
The InChIKey is JDRZQNCEUYMCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-12-8-9-14(17-2)13(10-12)15-11-6-4-3-5-7-11/h4,6,8-11,15H,3,5,7H2,1-2H3.
What are the key properties of N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline?
N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline has a molecular weight of 233.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline is sourced from PubChem (CID 14931345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).