1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine

C13H23BrN2OS — CID 55000952

IUPAC1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCOC)C(CN)c1ccc(Br)s1
InChIInChI=1S/C13H23BrN2OS/c1-4-10(2)16(7-8-17-3)11(9-15)12-5-6-13(14)18-12/h5-6,10-11H,4,7-9,15H2,1-3H3
InChIKeyYIPKDJZQTOVTSS-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.26
Rot. Bonds8

About 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine

1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 55000952) has the molecular formula C13H23BrN2OS and a molecular weight of 335.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID55000952
Molecular FormulaC13H23BrN2OS
Molecular Weight335.31 g/mol
Exact Mass334.07
IUPAC Name1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCOC)C(CN)c1ccc(Br)s1
InChIInChI=1S/C13H23BrN2OS/c1-4-10(2)16(7-8-17-3)11(9-15)12-5-6-13(14)18-12/h5-6,10-11H,4,7-9,15H2,1-3H3
InChIKeyYIPKDJZQTOVTSS-UHFFFAOYSA-N
XLogP3.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 102838866
1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83230949
1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571920
2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine
CID 117240735
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112657747
1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 54945275
N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571807
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 106885671
N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
CID 78986456
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 54983458

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine (CID 55000952) is 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine is CCC(C)N(CCOC)C(CN)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is YIPKDJZQTOVTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2OS/c1-4-10(2)16(7-8-17-3)11(9-15)12-5-6-13(14)18-12/h5-6,10-11H,4,7-9,15H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine?
1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 335.31 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 55000952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).