N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline

C13H14BrNS — CID 28972942

IUPACN-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Br)cs2)c1
InChIInChI=1S/C13H14BrNS/c1-9-3-4-10(2)13(5-9)15-7-12-6-11(14)8-16-12/h3-6,8,15H,7H2,1-2H3
InChIKeyPECQDFKTGKNXDN-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.74
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline

N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline (PubChem CID 28972942) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline
PubChem CID28972942
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Br)cs2)c1
InChIInChI=1S/C13H14BrNS/c1-9-3-4-10(2)13(5-9)15-7-12-6-11(14)8-16-12/h3-6,8,15H,7H2,1-2H3
InChIKeyPECQDFKTGKNXDN-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2,4-dimethylaniline
CID 28972836
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylaniline
CID 28972854
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-methylaniline
CID 107591591
5-bromo-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63445697
4-[(4-bromothiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 43736169
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 28833347
2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline
CID 107631245
N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline
CID 103818073
N-[(4-bromothiophen-2-yl)methyl]-2-(2,4-dimethylphenoxy)ethanamine
CID 60664796
N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
CID 43242955
4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746316
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-fluoroaniline
CID 43438232

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline (CID 28972942) is N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2cc(Br)cs2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline?
The InChIKey is PECQDFKTGKNXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-3-4-10(2)13(5-9)15-7-12-6-11(14)8-16-12/h3-6,8,15H,7H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline?
N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline has a molecular weight of 296.23 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 28972942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).