1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

C12H11ClINS — CID 115801090

IUPAC1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(I)c1)c1ccccc1Cl
InChIInChI=1S/C12H11ClINS/c1-15-12(8-6-11(14)16-7-8)9-4-2-3-5-10(9)13/h2-7,12,15H,1H3
InChIKeyXIWUWPJHZROJLR-UHFFFAOYSA-N
MW363.65 g/mol
LogP4.31
Rot. Bonds3

About 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (PubChem CID 115801090) has the molecular formula C12H11ClINS and a molecular weight of 363.65 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
PubChem CID115801090
Molecular FormulaC12H11ClINS
Molecular Weight363.65 g/mol
Exact Mass362.93
IUPAC Name1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(I)c1)c1ccccc1Cl
InChIInChI=1S/C12H11ClINS/c1-15-12(8-6-11(14)16-7-8)9-4-2-3-5-10(9)13/h2-7,12,15H,1H3
InChIKeyXIWUWPJHZROJLR-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.31
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-naphthalen-1-ylmethanamine
CID 79692934
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79693386
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 79693205
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79692831
1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693474
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79692917
1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480147
1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (CID 115801090) is 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is CNC(c1csc(I)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The InChIKey is XIWUWPJHZROJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINS/c1-15-12(8-6-11(14)16-7-8)9-4-2-3-5-10(9)13/h2-7,12,15H,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine has a molecular weight of 363.65 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 115801090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).