N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline

C15H17NOS — CID 116871239

IUPACN-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline
SMILESCNc1ccc(C2(c3sccc3C)COC2)cc1
InChIInChI=1S/C15H17NOS/c1-11-7-8-18-14(11)15(9-17-10-15)12-3-5-13(16-2)6-4-12/h3-8,16H,9-10H2,1-2H3
InChIKeyUGQNFJKSKPNMSC-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.41
Rot. Bonds3

About N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline

N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline (PubChem CID 116871239) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline
PubChem CID116871239
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline
SMILESCNc1ccc(C2(c3sccc3C)COC2)cc1
InChIInChI=1S/C15H17NOS/c1-11-7-8-18-14(11)15(9-17-10-15)12-3-5-13(16-2)6-4-12/h3-8,16H,9-10H2,1-2H3
InChIKeyUGQNFJKSKPNMSC-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]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-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde
CID 116872428
2-methyl-2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propanenitrile
CID 116873690
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874842
1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine
CID 116869900
2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine
CID 116870952
2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
CID 116874546
3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline
CID 116871185
1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116875001
N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)aniline
CID 177186212
2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine
CID 116871111
2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine
CID 131010716
3-methyl-N-(4-morpholin-4-ylphenyl)thiophen-2-amine
CID 174739915

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline?
The IUPAC name of N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline (CID 116871239) is N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline.
What is the SMILES notation for N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline?
The canonical SMILES for N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline is CNc1ccc(C2(c3sccc3C)COC2)cc1.
What is the InChIKey of N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline?
The InChIKey is UGQNFJKSKPNMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-7-8-18-14(11)15(9-17-10-15)12-3-5-13(16-2)6-4-12/h3-8,16H,9-10H2,1-2H3.
What are the key properties of N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline?
N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline has a molecular weight of 259.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline is sourced from PubChem (CID 116871239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).