1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

C13H22BrClN2OS — CID 102838794

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H22BrClN2OS/c1-9(2)8-17(4-5-18-3)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,4-5,7-8,16H2,1-3H3
InChIKeyCFCDRDHWVYQYGQ-UHFFFAOYSA-N
MW369.76 g/mol
LogP3.77
Rot. Bonds8

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 102838794) has the molecular formula C13H22BrClN2OS and a molecular weight of 369.76 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID102838794
Molecular FormulaC13H22BrClN2OS
Molecular Weight369.76 g/mol
Exact Mass368.03
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H22BrClN2OS/c1-9(2)8-17(4-5-18-3)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,4-5,7-8,16H2,1-3H3
InChIKeyCFCDRDHWVYQYGQ-UHFFFAOYSA-N
XLogP3.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869560
1-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65021783
1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 54945275
1-(4-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54987179
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839001
1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 102838866
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
1-(furan-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986599
1-(4-fluoro-3-methylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62120803
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986740
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 102838978
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
CID 102841044

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 102838794) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is COCCN(CC(C)C)C(CN)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is CFCDRDHWVYQYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrClN2OS/c1-9(2)8-17(4-5-18-3)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,4-5,7-8,16H2,1-3H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 369.76 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 102838794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).