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

C17H16INS — CID 79693205

IUPAC1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1csc(I)c1)c1ccc(C)c2ccccc12
InChIInChI=1S/C17H16INS/c1-11-7-8-15(14-6-4-3-5-13(11)14)17(19-2)12-9-16(18)20-10-12/h3-10,17,19H,1-2H3
InChIKeyDPVFGXDNVKAALT-UHFFFAOYSA-N
MW393.29 g/mol
LogP5.12
Rot. Bonds3

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

1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine (PubChem CID 79693205) has the molecular formula C17H16INS and a molecular weight of 393.29 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
PubChem CID79693205
Molecular FormulaC17H16INS
Molecular Weight393.29 g/mol
Exact Mass393.00
IUPAC Name1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1csc(I)c1)c1ccc(C)c2ccccc12
InChIInChI=1S/C17H16INS/c1-11-7-8-15(14-6-4-3-5-13(11)14)17(19-2)12-9-16(18)20-10-12/h3-10,17,19H,1-2H3
InChIKeyDPVFGXDNVKAALT-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.29
LogP ≤ 55.12
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-(2-methylnaphthalen-1-yl)methanamine
CID 81431920
1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693474
1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 115801090
1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758264
1-(4-bromo-2,5-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693204
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
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 107961061
N-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289
1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79692917

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine (CID 79693205) is 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine is CNC(c1csc(I)c1)c1ccc(C)c2ccccc12.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine?
The InChIKey is DPVFGXDNVKAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INS/c1-11-7-8-15(14-6-4-3-5-13(11)14)17(19-2)12-9-16(18)20-10-12/h3-10,17,19H,1-2H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine?
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine has a molecular weight of 393.29 g/mol, XLogP of 5.12, 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-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 79693205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).