N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

C13H15BrN2S — CID 65385553

IUPACN-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccsc1C(CN)Nc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2S/c1-9-6-7-17-13(9)12(8-15)16-11-4-2-10(14)3-5-11/h2-7,12,16H,8,15H2,1H3
InChIKeyIGZXSXQUQICANV-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.93
Rot. Bonds4

About N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 65385553) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID65385553
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccsc1C(CN)Nc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2S/c1-9-6-7-17-13(9)12(8-15)16-11-4-2-10(14)3-5-11/h2-7,12,16H,8,15H2,1H3
InChIKeyIGZXSXQUQICANV-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-(4-bromophenyl)-1-(3-bromothiophen-2-yl)ethane-1,2-diamine
CID 113298104
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62541320
3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol
CID 65378659
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 105405065
[2-(5-bromo-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105334611
2-N-(4-bromophenyl)butane-1,2-diamine
CID 65385757
N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
CID 107582913
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 55038608
N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 107582876
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (CID 65385553) is N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is Cc1ccsc1C(CN)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is IGZXSXQUQICANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-6-7-17-13(9)12(8-15)16-11-4-2-10(14)3-5-11/h2-7,12,16H,8,15H2,1H3.
What are the key properties of N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-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-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 65385553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).