3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline

C12H15NO — CID 142867321

IUPAC3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline
SMILESC/C=C\C(=C/C)Oc1cccc(N)c1
InChIInChI=1S/C12H15NO/c1-3-6-11(4-2)14-12-8-5-7-10(13)9-12/h3-9H,13H2,1-2H3/b6-3-,11-4+
InChIKeyREYQXLFQWBOBHM-WVVGTSEZSA-N
MW189.26 g/mol
LogP3.13
Rot. Bonds3

About 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline

3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline (PubChem CID 142867321) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline.

Molecular Properties

Compound Name3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline
PubChem CID142867321
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline
SMILESC/C=C\C(=C/C)Oc1cccc(N)c1
InChIInChI=1S/C12H15NO/c1-3-6-11(4-2)14-12-8-5-7-10(13)9-12/h3-9H,13H2,1-2H3/b6-3-,11-4+
InChIKeyREYQXLFQWBOBHM-WVVGTSEZSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene
CID 167082780
4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine
CID 146419743
4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine
CID 146419745
(1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine
CID 142985984
ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
CID 142857117
3-methoxyaniline;sulfane
CID 174447811
bis(3-aminophenyl) benzene-1,2-dicarboxylate
CID 140718881
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
3-methylaniline
CID 7934
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 142063297
(3-aminophenyl) naphthalene-2-carboxylate
CID 22761549

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline?
The IUPAC name of 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline (CID 142867321) is 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline.
What is the SMILES notation for 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline?
The canonical SMILES for 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline is C/C=C\C(=C/C)Oc1cccc(N)c1.
What is the InChIKey of 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline?
The InChIKey is REYQXLFQWBOBHM-WVVGTSEZSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-6-11(4-2)14-12-8-5-7-10(13)9-12/h3-9H,13H2,1-2H3/b6-3-,11-4+.
What are the key properties of 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline?
3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline has a molecular weight of 189.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline is sourced from PubChem (CID 142867321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).