N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine

C11H12BrClN2S — CID 102836382

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C11H12BrClN2S/c1-7-3-4-8(2)15(7)14-6-9-5-10(12)11(13)16-9/h3-5,14H,6H2,1-2H3
InChIKeyZPXZNFBBIMYBID-UHFFFAOYSA-N
MW319.66 g/mol
LogP4.33
Rot. Bonds3

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 102836382) has the molecular formula C11H12BrClN2S and a molecular weight of 319.66 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
PubChem CID102836382
Molecular FormulaC11H12BrClN2S
Molecular Weight319.66 g/mol
Exact Mass317.96
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C11H12BrClN2S/c1-7-3-4-8(2)15(7)14-6-9-5-10(12)11(13)16-9/h3-5,14H,6H2,1-2H3
InChIKeyZPXZNFBBIMYBID-UHFFFAOYSA-N
XLogP4.33
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.66
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline
CID 102829948
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100599
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-chloro-2-methylaniline
CID 102830756
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine
CID 102830047
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-chloro-4-methylaniline
CID 102830042
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine
CID 102836378
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 102831213
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-phenylaniline
CID 102832866
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-methylazetidin-3-amine
CID 130679569
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79091008

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine (CID 102836382) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NCc1cc(Br)c(Cl)s1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is ZPXZNFBBIMYBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2S/c1-7-3-4-8(2)15(7)14-6-9-5-10(12)11(13)16-9/h3-5,14H,6H2,1-2H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 319.66 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 102836382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).