4-(4-ethynylphenoxy)aniline

C14H11NO — CID 19809286

IUPAC4-(4-ethynylphenoxy)aniline
SMILESC#Cc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C14H11NO/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h1,3-10H,15H2
InChIKeyRPJPZSLSKMUWOS-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.04
Rot. Bonds2

About 4-(4-ethynylphenoxy)aniline

4-(4-ethynylphenoxy)aniline (PubChem CID 19809286) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-ethynylphenoxy)aniline.

Molecular Properties

Compound Name4-(4-ethynylphenoxy)aniline
PubChem CID19809286
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name4-(4-ethynylphenoxy)aniline
SMILESC#Cc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C14H11NO/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h1,3-10H,15H2
InChIKeyRPJPZSLSKMUWOS-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.04
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)aniline
CID 161415647
boric acid;4-ethynylaniline
CID 175384824
4-(4-ethynylphenoxy)-1,2-difluorobenzene
CID 138985519
4-phenoxyaniline
CID 158390066
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-[4-(4-chlorobut-1-ynyl)phenoxy]aniline
CID 170468687
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
CID 142398377
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
3-(4-ethynylphenoxy)propan-1-amine
CID 138985437
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
[4-(4-aminophenoxy)phenyl]-oxosulfanium
CID 174991384

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethynylphenoxy)aniline?
The IUPAC name of 4-(4-ethynylphenoxy)aniline (CID 19809286) is 4-(4-ethynylphenoxy)aniline.
What is the SMILES notation for 4-(4-ethynylphenoxy)aniline?
The canonical SMILES for 4-(4-ethynylphenoxy)aniline is C#Cc1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-ethynylphenoxy)aniline?
The InChIKey is RPJPZSLSKMUWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h1,3-10H,15H2.
What are the key properties of 4-(4-ethynylphenoxy)aniline?
4-(4-ethynylphenoxy)aniline has a molecular weight of 209.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynylphenoxy)aniline is sourced from PubChem (CID 19809286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).