2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C14H15Cl2NS — CID 65469347

IUPAC2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C14H15Cl2NS/c1-9(2)13(12-7-4-8-18-12)17-14-10(15)5-3-6-11(14)16/h3-9,13,17H,1-2H3
InChIKeyJVFDJHVOHLXVSF-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.86
Rot. Bonds4

About 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 65469347) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID65469347
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C14H15Cl2NS/c1-9(2)13(12-7-4-8-18-12)17-14-10(15)5-3-6-11(14)16/h3-9,13,17H,1-2H3
InChIKeyJVFDJHVOHLXVSF-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.25
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline
CID 66253055
2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 112553966
4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 107621215
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
CID 65469886
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine
CID 114070560
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43773694
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 65469347) is 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is CC(C)C(Nc1c(Cl)cccc1Cl)c1cccs1.
What is the InChIKey of 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is JVFDJHVOHLXVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-9(2)13(12-7-4-8-18-12)17-14-10(15)5-3-6-11(14)16/h3-9,13,17H,1-2H3.
What are the key properties of 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 300.25 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 65469347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).