4-cyclohex-2-en-1-yloxyaniline

C12H15NO — CID 112693108

IUPAC4-cyclohex-2-en-1-yloxyaniline
SMILESNc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C12H15NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4,6-9,11H,1,3,5,13H2
InChIKeyXARKNJVIPUSQHW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.76
Rot. Bonds2

About 4-cyclohex-2-en-1-yloxyaniline

4-cyclohex-2-en-1-yloxyaniline (PubChem CID 112693108) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxyaniline.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxyaniline
PubChem CID112693108
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-cyclohex-2-en-1-yloxyaniline
SMILESNc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C12H15NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4,6-9,11H,1,3,5,13H2
InChIKeyXARKNJVIPUSQHW-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-cyclohex-2-en-1-yloxybenzene
CID 15190705
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
1-cyclohex-2-en-1-yloxy-4-ethenylbenzene
CID 56975976
4-[(1S)-cyclohex-2-en-1-yl]oxybenzoate
CID 7343247
1-cyclohex-2-en-1-yloxy-4-[(2Z,4Z)-4-(4-cyclohex-2-en-1-yloxyphenyl)hexa-2,4-dien-3-yl]benzene
CID 5357270
4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114619610
1-bromo-4-cyclohex-2-en-1-yloxy-2-fluorobenzene
CID 114620041
2-[4-[(1S)-cyclohex-2-en-1-yl]oxyphenyl]-1,3,4-oxadiazole
CID 95321935
4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
CID 67807487
1-cyclohex-2-en-1-yloxy-3-methylbenzene
CID 91516514
[(1R)-cyclopent-2-en-1-yl]oxybenzene
CID 135011390
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxyaniline?
The IUPAC name of 4-cyclohex-2-en-1-yloxyaniline (CID 112693108) is 4-cyclohex-2-en-1-yloxyaniline.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxyaniline?
The canonical SMILES for 4-cyclohex-2-en-1-yloxyaniline is Nc1ccc(OC2C=CCCC2)cc1.
What is the InChIKey of 4-cyclohex-2-en-1-yloxyaniline?
The InChIKey is XARKNJVIPUSQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4,6-9,11H,1,3,5,13H2.
What are the key properties of 4-cyclohex-2-en-1-yloxyaniline?
4-cyclohex-2-en-1-yloxyaniline has a molecular weight of 189.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yloxyaniline is sourced from PubChem (CID 112693108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).