1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine

C12H12BrClN2S — CID 65385499

IUPAC1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C12H12BrClN2S/c13-12-5-4-11(17-12)10(7-15)16-9-3-1-2-8(14)6-9/h1-6,10,16H,7,15H2
InChIKeyKRUHZLWOVABYII-UHFFFAOYSA-N
MW331.67 g/mol
LogP4.28
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine

1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine (PubChem CID 65385499) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
PubChem CID65385499
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C12H12BrClN2S/c13-12-5-4-11(17-12)10(7-15)16-9-3-1-2-8(14)6-9/h1-6,10,16H,7,15H2
InChIKeyKRUHZLWOVABYII-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.67
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 102839520
N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65384440
1-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65384020
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
CID 63422945
N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382748
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 107619443
1-(4-chlorothiophen-2-yl)-N-phenylethane-1,2-diamine
CID 79428184
N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 107619632
[1-(5-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105222238
N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107573232

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine (CID 65385499) is 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine is NCC(Nc1cccc(Cl)c1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine?
The InChIKey is KRUHZLWOVABYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c13-12-5-4-11(17-12)10(7-15)16-9-3-1-2-8(14)6-9/h1-6,10,16H,7,15H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine?
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine has a molecular weight of 331.67 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).