1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine

C16H14INS — CID 79692934

IUPAC1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1csc(I)c1)c1cccc2ccccc12
InChIInChI=1S/C16H14INS/c1-18-16(12-9-15(17)19-10-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-10,16,18H,1H3
InChIKeySGXIXOIBDCJUKB-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.81
Rot. Bonds3

About 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine

1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine (PubChem CID 79692934) has the molecular formula C16H14INS and a molecular weight of 379.27 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine
PubChem CID79692934
Molecular FormulaC16H14INS
Molecular Weight379.27 g/mol
Exact Mass378.99
IUPAC Name1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1csc(I)c1)c1cccc2ccccc12
InChIInChI=1S/C16H14INS/c1-18-16(12-9-15(17)19-10-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-10,16,18H,1H3
InChIKeySGXIXOIBDCJUKB-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'}

Analyze 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 79693205
1-(5-iodothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81431920
1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 115801090
N-[(5-iodothiophen-3-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115853076
1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693474
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79692831
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79693386
4-[methylamino(naphthalen-1-yl)methyl]aniline
CID 116952076
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617
1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79692917
N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021278
N-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine (CID 79692934) is 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine is CNC(c1csc(I)c1)c1cccc2ccccc12.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
The InChIKey is SGXIXOIBDCJUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INS/c1-18-16(12-9-15(17)19-10-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-10,16,18H,1H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine 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-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 79692934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).