2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine

C12H19BrNO3PS — CID 67535763

IUPAC2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine
SMILESCCOP(=O)(COC)C(=Cc1cc(Br)cs1)N(C)C
InChIInChI=1S/C12H19BrNO3PS/c1-5-17-18(15,9-16-4)12(14(2)3)7-11-6-10(13)8-19-11/h6-8H,5,9H2,1-4H3
InChIKeyHQQBTIYLDREKJG-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.29
Rot. Bonds7

About 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine

2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine (PubChem CID 67535763) has the molecular formula C12H19BrNO3PS and a molecular weight of 368.23 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine
PubChem CID67535763
Molecular FormulaC12H19BrNO3PS
Molecular Weight368.23 g/mol
Exact Mass367.00
IUPAC Name2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine
SMILESCCOP(=O)(COC)C(=Cc1cc(Br)cs1)N(C)C
InChIInChI=1S/C12H19BrNO3PS/c1-5-17-18(15,9-16-4)12(14(2)3)7-11-6-10(13)8-19-11/h6-8H,5,9H2,1-4H3
InChIKeyHQQBTIYLDREKJG-UHFFFAOYSA-N
XLogP4.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine (CID 67535763) is 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine is CCOP(=O)(COC)C(=Cc1cc(Br)cs1)N(C)C.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine?
The InChIKey is HQQBTIYLDREKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrNO3PS/c1-5-17-18(15,9-16-4)12(14(2)3)7-11-6-10(13)8-19-11/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine?
2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine has a molecular weight of 368.23 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-[ethoxy(methoxymethyl)phosphoryl]-N,N-dimethylethenamine is sourced from PubChem (CID 67535763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).