4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C17H24N2S — CID 43791361

IUPAC4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1ccc(CN(C)C)cc1)c1cccs1
InChIInChI=1S/C17H24N2S/c1-13(2)17(16-6-5-11-20-16)18-15-9-7-14(8-10-15)12-19(3)4/h5-11,13,17-18H,12H2,1-4H3
InChIKeyFPKVVJJQRNOKEB-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.62
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 43791361) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID43791361
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1ccc(CN(C)C)cc1)c1cccs1
InChIInChI=1S/C17H24N2S/c1-13(2)17(16-6-5-11-20-16)18-15-9-7-14(8-10-15)12-19(3)4/h5-11,13,17-18H,12H2,1-4H3
InChIKeyFPKVVJJQRNOKEB-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43769722
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide
CID 43787656
2-[4-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenoxy]acetonitrile
CID 43767915
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
1-ethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridin-2-one
CID 54864039
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 43791361) is 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is CC(C)C(Nc1ccc(CN(C)C)cc1)c1cccs1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is FPKVVJJQRNOKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13(2)17(16-6-5-11-20-16)18-15-9-7-14(8-10-15)12-19(3)4/h5-11,13,17-18H,12H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 288.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43791361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).