4-cyclohexa-1,3-dien-1-yloxyaniline

C12H13NO — CID 129019348

IUPAC4-cyclohexa-1,3-dien-1-yloxyaniline
SMILESNc1ccc(OC2=CC=CCC2)cc1
InChIInChI=1S/C12H13NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-2,4,6-9H,3,5,13H2
InChIKeyNGCWDPAEARIVDL-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.88
Rot. Bonds2

About 4-cyclohexa-1,3-dien-1-yloxyaniline

4-cyclohexa-1,3-dien-1-yloxyaniline (PubChem CID 129019348) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yloxyaniline.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yloxyaniline
PubChem CID129019348
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-cyclohexa-1,3-dien-1-yloxyaniline
SMILESNc1ccc(OC2=CC=CCC2)cc1
InChIInChI=1S/C12H13NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-2,4,6-9H,3,5,13H2
InChIKeyNGCWDPAEARIVDL-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.88
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'}

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Related Compounds

cyclohexa-1,3-dien-1-yloxybenzene
CID 19734973
4-(4-aminophenoxy)aniline
CID 161415647
4-[[1-(4-aminophenoxy)-2H-pyridin-3-yl]oxy]aniline
CID 21293875
2-bromo-1-[4-(4-cyclohexa-1,3-dien-1-yloxyphenoxy)-2,6-dimethylphenyl]ethanone
CID 147083407
3-[4-[3-(4-cyclohexa-1,3-dien-1-yloxyphenoxy)propoxy]phenyl]-2-methoxypropanoic acid
CID 70322983
4-phenoxyaniline
CID 158390066
1-N-[4-(4-aminocyclohexa-1,3-dien-1-yl)oxyphenyl]-4-N-[4-(4-aminophenoxy)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143113013
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
10-methyl-8,9-dihydrobenzo[8]annulen-3-amine
CID 91309937

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yloxyaniline?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yloxyaniline (CID 129019348) is 4-cyclohexa-1,3-dien-1-yloxyaniline.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yloxyaniline?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yloxyaniline is Nc1ccc(OC2=CC=CCC2)cc1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yloxyaniline?
The InChIKey is NGCWDPAEARIVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-2,4,6-9H,3,5,13H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-yloxyaniline?
4-cyclohexa-1,3-dien-1-yloxyaniline has a molecular weight of 187.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yloxyaniline is sourced from PubChem (CID 129019348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).