1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

C14H16INOS — CID 79692917

IUPAC1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2csc(I)c2)cc1
InChIInChI=1S/C14H16INOS/c1-3-17-12-6-4-10(5-7-12)14(16-2)11-8-13(15)18-9-11/h4-9,14,16H,3H2,1-2H3
InChIKeyOGOCBUCTQNELML-UHFFFAOYSA-N
MW373.26 g/mol
LogP4.06
Rot. Bonds5

About 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (PubChem CID 79692917) has the molecular formula C14H16INOS and a molecular weight of 373.26 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
PubChem CID79692917
Molecular FormulaC14H16INOS
Molecular Weight373.26 g/mol
Exact Mass373.00
IUPAC Name1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2csc(I)c2)cc1
InChIInChI=1S/C14H16INOS/c1-3-17-12-6-4-10(5-7-12)14(16-2)11-8-13(15)18-9-11/h4-9,14,16H,3H2,1-2H3
InChIKeyOGOCBUCTQNELML-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-propan-2-ylphenyl)methanamine
CID 79693386
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79692831
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144257
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802169
1-(2-chlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 115801090
1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532
1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79692934
N-[(3-bromo-4-ethoxyphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 104657751
1-(3-fluoro-4-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693835
N-[(5-iodothiophen-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 79693662
(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
CID 115853519

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (CID 79692917) is 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is CCOc1ccc(C(NC)c2csc(I)c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The InChIKey is OGOCBUCTQNELML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INOS/c1-3-17-12-6-4-10(5-7-12)14(16-2)11-8-13(15)18-9-11/h4-9,14,16H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine has a molecular weight of 373.26 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 79692917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).