1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine

C13H14INS — CID 79692831

IUPAC1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1csc(I)c1
InChIInChI=1S/C13H14INS/c1-9-3-5-10(6-4-9)13(15-2)11-7-12(14)16-8-11/h3-8,13,15H,1-2H3
InChIKeyNDHDYAOUWKFODT-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.97
Rot. Bonds3

About 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine

1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 79692831) has the molecular formula C13H14INS and a molecular weight of 343.23 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID79692831
Molecular FormulaC13H14INS
Molecular Weight343.23 g/mol
Exact Mass342.99
IUPAC Name1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1csc(I)c1
InChIInChI=1S/C13H14INS/c1-9-3-5-10(6-4-9)13(15-2)11-7-12(14)16-8-11/h3-8,13,15H,1-2H3
InChIKeyNDHDYAOUWKFODT-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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-(4-propan-2-ylphenyl)methanamine
CID 79693386
N-[(5-iodothiophen-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 79693662
1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693474
1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79692917
1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 115801090
1-(3-fluoro-4-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693835
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 79693205
1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758264
1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79692934
1-(4-bromo-2,5-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693204
1-(5-iodothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81431920
2-(2-chloro-4-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 106867801

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine (CID 79692831) is 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is NDHDYAOUWKFODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INS/c1-9-3-5-10(6-4-9)13(15-2)11-7-12(14)16-8-11/h3-8,13,15H,1-2H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 343.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 79692831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).