1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C14H13F3INS — CID 102758264

IUPAC1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1csc(I)c1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H13F3INS/c1-8-5-10(14(15,16)17)3-4-11(8)13(19-2)9-6-12(18)20-7-9/h3-7,13,19H,1-2H3
InChIKeyACEJZEBNSCVLIF-UHFFFAOYSA-N
MW411.23 g/mol
LogP4.99
Rot. Bonds3

About 1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102758264) has the molecular formula C14H13F3INS and a molecular weight of 411.23 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102758264
Molecular FormulaC14H13F3INS
Molecular Weight411.23 g/mol
Exact Mass410.98
IUPAC Name1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1csc(I)c1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H13F3INS/c1-8-5-10(14(15,16)17)3-4-11(8)13(19-2)9-6-12(18)20-7-9/h3-7,13,19H,1-2H3
InChIKeyACEJZEBNSCVLIF-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.23
LogP ≤ 54.99
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-[2-methyl-4-(trifluoromethyl)phenyl]methanamine 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-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693474
1-(4-fluorophenyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753402
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
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757506
1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757874
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79692831
1-(5-ethylthiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758626
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
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79693386

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102758264) is 1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is CNC(c1csc(I)c1)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ACEJZEBNSCVLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3INS/c1-8-5-10(14(15,16)17)3-4-11(8)13(19-2)9-6-12(18)20-7-9/h3-7,13,19H,1-2H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 411.23 g/mol, XLogP of 4.99, 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-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102758264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).