1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine

C14H18N2OS — CID 54366380

IUPAC1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine
SMILESCOCCN(C)c1ccc(N)cc1-c1cccs1
InChIInChI=1S/C14H18N2OS/c1-16(7-8-17-2)13-6-5-11(15)10-12(13)14-4-3-9-18-14/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyUQBTYOLADQDQTD-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.08
Rot. Bonds5

About 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine

1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine (PubChem CID 54366380) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine
PubChem CID54366380
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine
SMILESCOCCN(C)c1ccc(N)cc1-c1cccs1
InChIInChI=1S/C14H18N2OS/c1-16(7-8-17-2)13-6-5-11(15)10-12(13)14-4-3-9-18-14/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyUQBTYOLADQDQTD-UHFFFAOYSA-N
XLogP3.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine (CID 54366380) is 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine is COCCN(C)c1ccc(N)cc1-c1cccs1.
What is the InChIKey of 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine?
The InChIKey is UQBTYOLADQDQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(7-8-17-2)13-6-5-11(15)10-12(13)14-4-3-9-18-14/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine?
1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-1-N-methyl-2-thiophen-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 54366380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).