1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

C14H16INS — CID 79693474

IUPAC1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(I)c1)c1ccc(C)cc1C
InChIInChI=1S/C14H16INS/c1-9-4-5-12(10(2)6-9)14(16-3)11-7-13(15)17-8-11/h4-8,14,16H,1-3H3
InChIKeyDVQQGGIFOIJTHJ-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.28
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (PubChem CID 79693474) has the molecular formula C14H16INS and a molecular weight of 357.26 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
PubChem CID79693474
Molecular FormulaC14H16INS
Molecular Weight357.26 g/mol
Exact Mass357.00
IUPAC Name1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(I)c1)c1ccc(C)cc1C
InChIInChI=1S/C14H16INS/c1-9-4-5-12(10(2)6-9)14(16-3)11-7-13(15)17-8-11/h4-8,14,16H,1-3H3
InChIKeyDVQQGGIFOIJTHJ-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.28
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

1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758264
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79692831
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 79693205
1-(4-bromo-2,5-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693204
1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 115801090
1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79692934
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79693386
4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
CID 116952017
1-(2,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299389
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 114249001
N-[(5-iodothiophen-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 79693662

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (CID 79693474) is 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is CNC(c1csc(I)c1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The InChIKey is DVQQGGIFOIJTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INS/c1-9-4-5-12(10(2)6-9)14(16-3)11-7-13(15)17-8-11/h4-8,14,16H,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine has a molecular weight of 357.26 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 79693474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).