4-iodo-N-(2-thiophen-2-ylethyl)aniline

C12H12INS — CID 63775663

IUPAC4-iodo-N-(2-thiophen-2-ylethyl)aniline
SMILESIc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C12H12INS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-6,9,14H,7-8H2
InChIKeyAZOXAHGMYCMYHT-UHFFFAOYSA-N
MW329.21 g/mol
LogP4.01
Rot. Bonds4

About 4-iodo-N-(2-thiophen-2-ylethyl)aniline

4-iodo-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 63775663) has the molecular formula C12H12INS and a molecular weight of 329.21 g/mol. Its IUPAC name is 4-iodo-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-iodo-N-(2-thiophen-2-ylethyl)aniline
PubChem CID63775663
Molecular FormulaC12H12INS
Molecular Weight329.21 g/mol
Exact Mass328.97
IUPAC Name4-iodo-N-(2-thiophen-2-ylethyl)aniline
SMILESIc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C12H12INS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-6,9,14H,7-8H2
InChIKeyAZOXAHGMYCMYHT-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 83961211
4-(difluoromethylsulfonyl)-N-(2-thiophen-2-ylethyl)aniline
CID 43455311
N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 43453843
4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 83963038
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol
CID 83962574
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-iodo-N-(2-thiophen-2-ylethyl)aniline (CID 63775663) is 4-iodo-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-iodo-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-iodo-N-(2-thiophen-2-ylethyl)aniline is Ic1ccc(NCCc2cccs2)cc1.
What is the InChIKey of 4-iodo-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is AZOXAHGMYCMYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-6,9,14H,7-8H2.
What are the key properties of 4-iodo-N-(2-thiophen-2-ylethyl)aniline?
4-iodo-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 329.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63775663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).