4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide

C16H13ClINOS — CID 171352057

IUPAC4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide
SMILESI.Nc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C16H12ClNOS.HI/c17-13-3-7-15(8-4-13)19-14-5-1-11(2-6-14)12-9-16(18)20-10-12;/h1-10H,18H2;1H
InChIKeyJJLXXIZDLKSPND-UHFFFAOYSA-N
MW429.71 g/mol
LogP6.06
Rot. Bonds3

About 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide

4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide (PubChem CID 171352057) has the molecular formula C16H13ClINOS and a molecular weight of 429.71 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide
PubChem CID171352057
Molecular FormulaC16H13ClINOS
Molecular Weight429.71 g/mol
Exact Mass428.95
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide
SMILESI.Nc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C16H12ClNOS.HI/c17-13-3-7-15(8-4-13)19-14-5-1-11(2-6-14)12-9-16(18)20-10-12;/h1-10H,18H2;1H
InChIKeyJJLXXIZDLKSPND-UHFFFAOYSA-N
XLogP6.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.71
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3,4-Dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide
CID 171348531
4-[4-(4-Methylphenoxy)phenyl]thiophen-2-amine;hydroiodide
CID 171356315
3-[4-(4-Chlorophenoxy)phenyl]thiophene
CID 134967442
4-(4-Ethoxy-3-fluorophenyl)thiophen-2-amine
CID 82476676
4-(3-Fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine
CID 82481242
4-[4-(3,4-Dichlorophenoxy)phenyl]thiophen-2-amine
CID 171348109
4-[4-(4-Methylphenoxy)phenyl]thiophen-2-amine
CID 171349082
4-[4-(4-Chlorophenoxy)phenyl]thiophen-2-amine
CID 171352051
4,5-Bis(4-methoxyphenyl)thiophen-2-amine
CID 23372807
4-(4-Thiophen-3-ylphenoxy)aniline
CID 89343796
5-(5-Chloro-2-propoxyphenyl)thiophen-2-amine
CID 163257756
5-Chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine
CID 171780466

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide (CID 171352057) is 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide is I.Nc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide?
The InChIKey is JJLXXIZDLKSPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS.HI/c17-13-3-7-15(8-4-13)19-14-5-1-11(2-6-14)12-9-16(18)20-10-12;/h1-10H,18H2;1H.
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide?
4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide has a molecular weight of 429.71 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine;hydroiodide is sourced from PubChem (CID 171352057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).