N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine

C12H13BrN2S — CID 65384490

IUPACN-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)c1ccsc1
InChIInChI=1S/C12H13BrN2S/c13-10-3-1-2-4-11(10)15-12(7-14)9-5-6-16-8-9/h1-6,8,12,15H,7,14H2
InChIKeyWESYAKLYUNDZAZ-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.62
Rot. Bonds4

About N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine

N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 65384490) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
PubChem CID65384490
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC NameN-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)c1ccsc1
InChIInChI=1S/C12H13BrN2S/c13-10-3-1-2-4-11(10)15-12(7-14)9-5-6-16-8-9/h1-6,8,12,15H,7,14H2
InChIKeyWESYAKLYUNDZAZ-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65383219
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 65383417
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine
CID 62064771
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919
2-bromo-N-(3,3-dimethyl-1-phenylbutyl)aniline
CID 43762679
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
CID 65381151

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine (CID 65384490) is N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine is NCC(Nc1ccccc1Br)c1ccsc1.
What is the InChIKey of N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is WESYAKLYUNDZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c13-10-3-1-2-4-11(10)15-12(7-14)9-5-6-16-8-9/h1-6,8,12,15H,7,14H2.
What are the key properties of N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine?
N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 297.22 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 65384490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).