N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline

C17H24N2S — CID 105166487

IUPACN,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
SMILESCCCNC(c1ccc(N(C)C)cc1)c1sccc1C
InChIInChI=1S/C17H24N2S/c1-5-11-18-16(17-13(2)10-12-20-17)14-6-8-15(9-7-14)19(3)4/h6-10,12,16,18H,5,11H2,1-4H3
InChIKeyHWQJETSWXSRLLC-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.21
Rot. Bonds6

About N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline

N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline (PubChem CID 105166487) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
PubChem CID105166487
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
SMILESCCCNC(c1ccc(N(C)C)cc1)c1sccc1C
InChIInChI=1S/C17H24N2S/c1-5-11-18-16(17-13(2)10-12-20-17)14-6-8-15(9-7-14)19(3)4/h6-10,12,16,18H,5,11H2,1-4H3
InChIKeyHWQJETSWXSRLLC-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503475
4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105076350
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503327
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095
N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115815713
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 43498094
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807394
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242
N-[(2,6-difluorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55006823

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline (CID 105166487) is N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline is CCCNC(c1ccc(N(C)C)cc1)c1sccc1C.
What is the InChIKey of N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline?
The InChIKey is HWQJETSWXSRLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-11-18-16(17-13(2)10-12-20-17)14-6-8-15(9-7-14)19(3)4/h6-10,12,16,18H,5,11H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline?
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline has a molecular weight of 288.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline is sourced from PubChem (CID 105166487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).