2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline

C18H26N2S — CID 63071477

IUPAC2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(c1cccs1)N(C)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H26N2S/c1-14(17-11-8-12-21-17)20(5)16-10-7-6-9-15(16)13-19-18(2,3)4/h6-12,14,19H,13H2,1-5H3
InChIKeyMYUQYWXTXWTLRZ-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.83
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline

2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 63071477) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline
PubChem CID63071477
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(c1cccs1)N(C)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H26N2S/c1-14(17-11-8-12-21-17)20(5)16-10-7-6-9-15(16)13-19-18(2,3)4/h6-12,14,19H,13H2,1-5H3
InChIKeyMYUQYWXTXWTLRZ-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)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

2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431007
1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine
CID 62431010
4-chloro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylethyl)aniline
CID 114849487
1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317503
2-(bromomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 107081657
2-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 62308654
2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057039
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
2-chloro-N-methyl-4-(methylaminomethyl)-N-(1-thiophen-2-ylethyl)aniline
CID 81149666
2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline
CID 114068118
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
2-methyl-N-[(2-methylthiophen-3-yl)methyl]propan-2-amine
CID 102832538

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline (CID 63071477) is 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline is CC(c1cccs1)N(C)c1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is MYUQYWXTXWTLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-14(17-11-8-12-21-17)20(5)16-10-7-6-9-15(16)13-19-18(2,3)4/h6-12,14,19H,13H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline?
2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 302.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63071477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).