4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline

C13H14INS — CID 62091392

IUPAC4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
SMILESCc1cc(I)ccc1NC(C)c1ccsc1
InChIInChI=1S/C13H14INS/c1-9-7-12(14)3-4-13(9)15-10(2)11-5-6-16-8-11/h3-8,10,15H,1-2H3
InChIKeyWWZWJMLKKYTTNE-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.83
Rot. Bonds3

About 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline

4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 62091392) has the molecular formula C13H14INS and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
PubChem CID62091392
Molecular FormulaC13H14INS
Molecular Weight343.23 g/mol
Exact Mass342.99
IUPAC Name4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
SMILESCc1cc(I)ccc1NC(C)c1ccsc1
InChIInChI=1S/C13H14INS/c1-9-7-12(14)3-4-13(9)15-10(2)11-5-6-16-8-11/h3-8,10,15H,1-2H3
InChIKeyWWZWJMLKKYTTNE-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.83
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

4-iodo-2-nitro-N-(1-thiophen-3-ylethyl)aniline
CID 66065103
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037
2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 115923359
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 83069132
4-chloro-1-N-(1-thiophen-3-ylethyl)benzene-1,2-diamine
CID 62840811
4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 63423180
N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 43717020
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-iodo-2-methylaniline
CID 43785212
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-iodo-2-methylaniline
CID 63752277
2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
4-iodo-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43226863
2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine
CID 63735993

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline (CID 62091392) is 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline is Cc1cc(I)ccc1NC(C)c1ccsc1.
What is the InChIKey of 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is WWZWJMLKKYTTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INS/c1-9-7-12(14)3-4-13(9)15-10(2)11-5-6-16-8-11/h3-8,10,15H,1-2H3.
What are the key properties of 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline?
4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 343.23 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 62091392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).