2-(4-anilinophenoxy)ethyl thiocyanate

C15H14N2OS — CID 10989334

IUPAC2-(4-anilinophenoxy)ethyl thiocyanate
SMILESN#CSCCOc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H14N2OS/c16-12-19-11-10-18-15-8-6-14(7-9-15)17-13-4-2-1-3-5-13/h1-9,17H,10-11H2
InChIKeyFOVWJBFTCCUKRC-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.02
Rot. Bonds6

About 2-(4-anilinophenoxy)ethyl thiocyanate

2-(4-anilinophenoxy)ethyl thiocyanate (PubChem CID 10989334) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)ethyl thiocyanate.

Molecular Properties

Compound Name2-(4-anilinophenoxy)ethyl thiocyanate
PubChem CID10989334
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(4-anilinophenoxy)ethyl thiocyanate
SMILESN#CSCCOc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H14N2OS/c16-12-19-11-10-18-15-8-6-14(7-9-15)17-13-4-2-1-3-5-13/h1-9,17H,10-11H2
InChIKeyFOVWJBFTCCUKRC-UHFFFAOYSA-N
XLogP4.02
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
5-(4-anilinophenoxy)pentanoic acid
CID 43519556
(NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine
CID 143158614
[4-(2-thiocyanatoethoxy)phenyl] 2-methylprop-2-enoate
CID 11708720
4-(2-anilinoethoxy)benzonitrile
CID 134030846
5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 2161516
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 3321673
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
N-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 2659144
3-(4-pentoxyphenyl)propyl thiocyanate
CID 112718650

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)ethyl thiocyanate?
The IUPAC name of 2-(4-anilinophenoxy)ethyl thiocyanate (CID 10989334) is 2-(4-anilinophenoxy)ethyl thiocyanate.
What is the SMILES notation for 2-(4-anilinophenoxy)ethyl thiocyanate?
The canonical SMILES for 2-(4-anilinophenoxy)ethyl thiocyanate is N#CSCCOc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-anilinophenoxy)ethyl thiocyanate?
The InChIKey is FOVWJBFTCCUKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-12-19-11-10-18-15-8-6-14(7-9-15)17-13-4-2-1-3-5-13/h1-9,17H,10-11H2.
What are the key properties of 2-(4-anilinophenoxy)ethyl thiocyanate?
2-(4-anilinophenoxy)ethyl thiocyanate has a molecular weight of 270.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)ethyl thiocyanate is sourced from PubChem (CID 10989334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).