5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline

C13H14BrNS — CID 43729607

IUPAC5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1ccc(Br)cc1NC(C)c1cccs1
InChIInChI=1S/C13H14BrNS/c1-9-5-6-11(14)8-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,1-2H3
InChIKeyJPLKEZWPTQOPRV-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.99
Rot. Bonds3

About 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline

5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43729607) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43729607
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1ccc(Br)cc1NC(C)c1cccs1
InChIInChI=1S/C13H14BrNS/c1-9-5-6-11(14)8-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,1-2H3
InChIKeyJPLKEZWPTQOPRV-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
CID 81292571
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
N-[1-(4-bromothiophen-2-yl)ethyl]-5-iodo-2-methylaniline
CID 114257070
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43729368
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 43739048
2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 103144969
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline (CID 43729607) is 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline is Cc1ccc(Br)cc1NC(C)c1cccs1.
What is the InChIKey of 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is JPLKEZWPTQOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-5-6-11(14)8-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 296.23 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43729607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).