4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline

C12H12INS — CID 43227956

IUPAC4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCc1cc(I)ccc1NCc1cccs1
InChIInChI=1S/C12H12INS/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-7,14H,8H2,1H3
InChIKeyMFSBPZYHXXTPMO-UHFFFAOYSA-N
MW329.21 g/mol
LogP4.27
Rot. Bonds3

About 4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline

4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 43227956) has the molecular formula C12H12INS and a molecular weight of 329.21 g/mol. Its IUPAC name is 4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID43227956
Molecular FormulaC12H12INS
Molecular Weight329.21 g/mol
Exact Mass328.97
IUPAC Name4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCc1cc(I)ccc1NCc1cccs1
InChIInChI=1S/C12H12INS/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-7,14H,8H2,1H3
InChIKeyMFSBPZYHXXTPMO-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 54.27
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

N-[(5-ethylthiophen-2-yl)methyl]-4-iodo-2-methylaniline
CID 63440748
5-[(4-iodo-2-methylanilino)methyl]thiophene-3-carbonitrile
CID 79613761
2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 60932472
N-(1-benzothiophen-3-ylmethyl)-4-iodo-2-methylaniline
CID 63440961
1-N-(4-iodo-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 130588894
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747
4-iodo-2-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760091
2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 43173657
6-methoxy-2-methyl-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 115748960
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785217
5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643760

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline (CID 43227956) is 4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline is Cc1cc(I)ccc1NCc1cccs1.
What is the InChIKey of 4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is MFSBPZYHXXTPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INS/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-7,14H,8H2,1H3.
What are the key properties of 4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline?
4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 329.21 g/mol, XLogP of 4.27, 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-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 43227956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).