4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline

C15H18BrNS — CID 43104796

IUPAC4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
SMILESCc1cc(C(C)Nc2ccc(Br)c(C)c2)c(C)s1
InChIInChI=1S/C15H18BrNS/c1-9-7-13(5-6-15(9)16)17-11(3)14-8-10(2)18-12(14)4/h5-8,11,17H,1-4H3
InChIKeyRHDBRYYADYTZCT-UHFFFAOYSA-N
MW324.29 g/mol
LogP5.61
Rot. Bonds3

About 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline

4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline (PubChem CID 43104796) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
PubChem CID43104796
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
SMILESCc1cc(C(C)Nc2ccc(Br)c(C)c2)c(C)s1
InChIInChI=1S/C15H18BrNS/c1-9-7-13(5-6-15(9)16)17-11(3)14-8-10(2)18-12(14)4/h5-8,11,17H,1-4H3
InChIKeyRHDBRYYADYTZCT-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzoic acid
CID 107281803
2-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzenecarbothioamide
CID 107277529
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43106448
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 63419250
4-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-fluoroaniline
CID 43721303
4-bromo-2,3-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 107787895
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803954
2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43683002
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
CID 43192646
2-chloro-4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451348
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxyaniline
CID 43103753

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline?
The IUPAC name of 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline (CID 43104796) is 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline is Cc1cc(C(C)Nc2ccc(Br)c(C)c2)c(C)s1.
What is the InChIKey of 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline?
The InChIKey is RHDBRYYADYTZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-9-7-13(5-6-15(9)16)17-11(3)14-8-10(2)18-12(14)4/h5-8,11,17H,1-4H3.
What are the key properties of 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline?
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline has a molecular weight of 324.29 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline is sourced from PubChem (CID 43104796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).