N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline

C16H22N2S — CID 134793647

IUPACN,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
SMILESCC(c1cccs1)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-13(16-6-5-11-19-16)18(4)12-14-7-9-15(10-8-14)17(2)3/h5-11,13H,12H2,1-4H3
InChIKeyGMAYUNWSUPJCOH-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.01
Rot. Bonds5

About N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline

N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline (PubChem CID 134793647) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
PubChem CID134793647
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
SMILESCC(c1cccs1)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-13(16-6-5-11-19-16)18(4)12-14-7-9-15(10-8-14)17(2)3/h5-11,13H,12H2,1-4H3
InChIKeyGMAYUNWSUPJCOH-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline (CID 134793647) is N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline is CC(c1cccs1)N(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline?
The InChIKey is GMAYUNWSUPJCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13(16-6-5-11-19-16)18(4)12-14-7-9-15(10-8-14)17(2)3/h5-11,13H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline?
N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline has a molecular weight of 274.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline is sourced from PubChem (CID 134793647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).