[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine

C14H17NOS — CID 81278557

IUPAC[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
SMILESCc1cc(OCCc2cccs2)ccc1CN
InChIInChI=1S/C14H17NOS/c1-11-9-13(5-4-12(11)10-15)16-7-6-14-3-2-8-17-14/h2-5,8-9H,6-7,10,15H2,1H3
InChIKeySSHNPRFKRIKXPJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.14
Rot. Bonds5

About [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine

[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine (PubChem CID 81278557) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
PubChem CID81278557
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
SMILESCc1cc(OCCc2cccs2)ccc1CN
InChIInChI=1S/C14H17NOS/c1-11-9-13(5-4-12(11)10-15)16-7-6-14-3-2-8-17-14/h2-5,8-9H,6-7,10,15H2,1H3
InChIKeySSHNPRFKRIKXPJ-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine 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

4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
CID 81279223
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
2-[2-(4-iodophenoxy)ethyl]thiophene
CID 63775309
4-methyl-3-(2-thiophen-2-ylethoxy)aniline
CID 63776205
[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
CID 62322458
2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide
CID 55235923
[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methanol
CID 63775137
N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine
CID 62321572
5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline
CID 114415831
N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 77005612
(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495566

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
The IUPAC name of [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine (CID 81278557) is [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
The canonical SMILES for [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine is Cc1cc(OCCc2cccs2)ccc1CN.
What is the InChIKey of [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
The InChIKey is SSHNPRFKRIKXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-9-13(5-4-12(11)10-15)16-7-6-14-3-2-8-17-14/h2-5,8-9H,6-7,10,15H2,1H3.
What are the key properties of [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 81278557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).