1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine

C16H14INS — CID 43485769

IUPAC1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1I)c1csc2ccccc12
InChIInChI=1S/C16H14INS/c1-18-16(12-7-2-4-8-14(12)17)13-10-19-15-9-5-3-6-11(13)15/h2-10,16,18H,1H3
InChIKeyJKKWWWNSCHUKGJ-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.81
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine

1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine (PubChem CID 43485769) has the molecular formula C16H14INS and a molecular weight of 379.27 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine
PubChem CID43485769
Molecular FormulaC16H14INS
Molecular Weight379.27 g/mol
Exact Mass378.99
IUPAC Name1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1I)c1csc2ccccc12
InChIInChI=1S/C16H14INS/c1-18-16(12-7-2-4-8-14(12)17)13-10-19-15-9-5-3-6-11(13)15/h2-10,16,18H,1H3
InChIKeyJKKWWWNSCHUKGJ-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.81
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-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43485809
1-(1-benzothiophen-3-yl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483920
1-(1-benzothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43485732
1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049999
1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151844
3-[1-benzothiophen-3-yl(methylamino)methyl]aniline
CID 116951922
1-(1-benzothiophen-3-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114994005
1-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043669
1-(1-benzothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998605
1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020092
1-(1-benzothiophen-3-yl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046623
N-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine (CID 43485769) is 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine is CNC(c1ccccc1I)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine?
The InChIKey is JKKWWWNSCHUKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INS/c1-18-16(12-7-2-4-8-14(12)17)13-10-19-15-9-5-3-6-11(13)15/h2-10,16,18H,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine?
1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine has a molecular weight of 379.27 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43485769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).