3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline

C16H21NOS — CID 62091231

IUPAC3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(C)COc1cccc(NC(C)c2ccsc2)c1
InChIInChI=1S/C16H21NOS/c1-12(2)10-18-16-6-4-5-15(9-16)17-13(3)14-7-8-19-11-14/h4-9,11-13,17H,10H2,1-3H3
InChIKeyLAVPIQSLFPUDPS-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.96
Rot. Bonds6

About 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline

3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 62091231) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline
PubChem CID62091231
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(C)COc1cccc(NC(C)c2ccsc2)c1
InChIInChI=1S/C16H21NOS/c1-12(2)10-18-16-6-4-5-15(9-16)17-13(3)14-7-8-19-11-14/h4-9,11-13,17H,10H2,1-3H3
InChIKeyLAVPIQSLFPUDPS-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpropoxy)-N-(1-thiophen-3-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

3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline
CID 55060246
N-[1-(3-fluorophenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449892
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449937
N-(3-methylpentan-2-yl)-3-(2-methylpropoxy)aniline
CID 63449668
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
N-(1-thiophen-3-ylethyl)pyridin-3-amine
CID 62090458
2-[3-(2-methylpropoxy)anilino]propanoic acid
CID 66174540
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
N-ethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032381

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline (CID 62091231) is 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline is CC(C)COc1cccc(NC(C)c2ccsc2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is LAVPIQSLFPUDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(2)10-18-16-6-4-5-15(9-16)17-13(3)14-7-8-19-11-14/h4-9,11-13,17H,10H2,1-3H3.
What are the key properties of 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline?
3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 275.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 62091231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).