N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline

C14H19NO2 — CID 107906285

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

About N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline

N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline (PubChem CID 107906285) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2,4-dimethoxyaniline
PubChem CID107906285
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-cyclohex-2-en-1-yl-2,4-dimethoxyaniline
SMILESCOc1ccc(NC2C=CCCC2)c(OC)c1
InChIInChI=1S/C14H19NO2/c1-16-12-8-9-13(14(10-12)17-2)15-11-6-4-3-5-7-11/h4,6,8-11,15H,3,5,7H2,1-2H3
InChIKeyTVNRYXDJKCOHNZ-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline
CID 14931345
2-(2,4-dimethoxyanilino)cyclobutane-1-carboxylic acid
CID 103231889
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711
N-(2,4-dimethoxyphenyl)-2-methylthiolan-3-amine
CID 102670987
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine
CID 86782266
(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
CID 104940189
N-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841050
2-chloro-N-(2,4-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252038
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846354
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline?
The IUPAC name of N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline (CID 107906285) is N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline?
The canonical SMILES for N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline is COc1ccc(NC2C=CCCC2)c(OC)c1.
What is the InChIKey of N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline?
The InChIKey is TVNRYXDJKCOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-12-8-9-13(14(10-12)17-2)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-2,4-dimethoxyaniline?
N-cyclohex-2-en-1-yl-2,4-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-2,4-dimethoxyaniline is sourced from PubChem (CID 107906285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).