2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C16H21NS — CID 43765887

IUPAC2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCc1ccc(C)c(NC(c2cccs2)C(C)C)c1
InChIInChI=1S/C16H21NS/c1-11(2)16(15-6-5-9-18-15)17-14-10-12(3)7-8-13(14)4/h5-11,16-17H,1-4H3
InChIKeyDDTVASXNTZRBQU-UHFFFAOYSA-N
MW259.42 g/mol
LogP5.17
Rot. Bonds4

About 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 43765887) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID43765887
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCc1ccc(C)c(NC(c2cccs2)C(C)C)c1
InChIInChI=1S/C16H21NS/c1-11(2)16(15-6-5-9-18-15)17-14-10-12(3)7-8-13(14)4/h5-11,16-17H,1-4H3
InChIKeyDDTVASXNTZRBQU-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43761105
5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 107927221
2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol
CID 43790172
4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 103590138
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 62477928
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43722930

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 43765887) is 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is Cc1ccc(C)c(NC(c2cccs2)C(C)C)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is DDTVASXNTZRBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-11(2)16(15-6-5-9-18-15)17-14-10-12(3)7-8-13(14)4/h5-11,16-17H,1-4H3.
What are the key properties of 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 259.42 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43765887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).