2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C14H16BrNS — CID 43762617

IUPAC2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1ccccc1Br)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-10(2)14(13-8-5-9-17-13)16-12-7-4-3-6-11(12)15/h3-10,14,16H,1-2H3
InChIKeyYJWBUNOFYFLHRA-UHFFFAOYSA-N
MW310.26 g/mol
LogP5.32
Rot. Bonds4

About 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 43762617) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID43762617
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1ccccc1Br)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-10(2)14(13-8-5-9-17-13)16-12-7-4-3-6-11(12)15/h3-10,14,16H,1-2H3
InChIKeyYJWBUNOFYFLHRA-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.26
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
CID 104776944
3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 61166779
2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 54982930
2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43792087
2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
CID 43762685
2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol
CID 43790172
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 43762617) is 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is CC(C)C(Nc1ccccc1Br)c1cccs1.
What is the InChIKey of 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is YJWBUNOFYFLHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10(2)14(13-8-5-9-17-13)16-12-7-4-3-6-11(12)15/h3-10,14,16H,1-2H3.
What are the key properties of 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 310.26 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43762617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).