N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine

C13H15BrN2S — CID 107582876

IUPACN-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)c2cccs2)c1
InChIInChI=1S/C13H15BrN2S/c1-9-5-10(14)7-11(6-9)16-12(8-15)13-3-2-4-17-13/h2-7,12,16H,8,15H2,1H3
InChIKeyQHRBEOOLZNYBAK-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.93
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine

N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 107582876) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID107582876
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)c2cccs2)c1
InChIInChI=1S/C13H15BrN2S/c1-9-5-10(14)7-11(6-9)16-12(8-15)13-3-2-4-17-13/h2-7,12,16H,8,15H2,1H3
InChIKeyQHRBEOOLZNYBAK-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 107582817
N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 107582847
N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
CID 107582913
2-(3-bromo-5-methylanilino)-1-thiophen-2-ylethanol
CID 107583087
1-(1-benzofuran-2-yl)-N-(3-bromo-5-methylphenyl)ethane-1,2-diamine
CID 107582891
N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
CID 107582683
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
2-(2,2-dimethylhydrazinyl)-2-thiophen-2-ylethanamine
CID 83011900
N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 107582921
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 65383986
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine (CID 107582876) is N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine is Cc1cc(Br)cc(NC(CN)c2cccs2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is QHRBEOOLZNYBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-5-10(14)7-11(6-9)16-12(8-15)13-3-2-4-17-13/h2-7,12,16H,8,15H2,1H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine?
N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 311.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 107582876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).