1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine

C15H27BrN2OS — CID 102838866

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CN)c1cc(Br)c(C)s1
InChIInChI=1S/C15H27BrN2OS/c1-5-12(6-2)18(7-8-19-4)14(10-17)15-9-13(16)11(3)20-15/h9,12,14H,5-8,10,17H2,1-4H3
InChIKeyHVOADULBYOCNJH-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.96
Rot. Bonds9

About 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine

1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 102838866) has the molecular formula C15H27BrN2OS and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID102838866
Molecular FormulaC15H27BrN2OS
Molecular Weight363.37 g/mol
Exact Mass362.10
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CN)c1cc(Br)c(C)s1
InChIInChI=1S/C15H27BrN2OS/c1-5-12(6-2)18(7-8-19-4)14(10-17)15-9-13(16)11(3)20-15/h9,12,14H,5-8,10,17H2,1-4H3
InChIKeyHVOADULBYOCNJH-UHFFFAOYSA-N
XLogP3.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3-methylphenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 66475033
1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 55000952
1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 106885671
1-(3,5-difluorophenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 106528598
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine
CID 55004064
1-(4-bromo-5-methylthiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 102838940
1-(4-bromo-5-methylthiophen-2-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869560
1-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 102839682
2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine
CID 102845248
1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 102838954
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 102838794
1-(4-bromo-5-methylthiophen-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 102838731

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine (CID 102838866) is 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCOC)C(CN)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is HVOADULBYOCNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2OS/c1-5-12(6-2)18(7-8-19-4)14(10-17)15-9-13(16)11(3)20-15/h9,12,14H,5-8,10,17H2,1-4H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 363.37 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 102838866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).