2-(5-methyl-2-propoxyanilino)ethanethiol

C12H19NOS — CID 83961741

IUPAC2-(5-methyl-2-propoxyanilino)ethanethiol
SMILESCCCOc1ccc(C)cc1NCCS
InChIInChI=1S/C12H19NOS/c1-3-7-14-12-5-4-10(2)9-11(12)13-6-8-15/h4-5,9,13,15H,3,6-8H2,1-2H3
InChIKeyAWXDQDHOSSCPDI-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.13
Rot. Bonds6

About 2-(5-methyl-2-propoxyanilino)ethanethiol

2-(5-methyl-2-propoxyanilino)ethanethiol (PubChem CID 83961741) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(5-methyl-2-propoxyanilino)ethanethiol.

Molecular Properties

Compound Name2-(5-methyl-2-propoxyanilino)ethanethiol
PubChem CID83961741
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(5-methyl-2-propoxyanilino)ethanethiol
SMILESCCCOc1ccc(C)cc1NCCS
InChIInChI=1S/C12H19NOS/c1-3-7-14-12-5-4-10(2)9-11(12)13-6-8-15/h4-5,9,13,15H,3,6-8H2,1-2H3
InChIKeyAWXDQDHOSSCPDI-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(5-methyl-2-propoxyanilino)ethanethiol 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'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
N,5-dimethyl-2-propoxyaniline
CID 82263415
N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
CID 83961753
N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline
CID 83961757
2-(3,4-dipropoxyanilino)ethanethiol
CID 83961561
2-ethoxy-N-(3-methoxypropyl)-5-methylaniline
CID 83961689
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
2-(5-fluoro-2-propoxyanilino)ethanol
CID 167924183
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 83961752
N-ethyl-2,5-dipropoxyaniline
CID 82267866

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propoxyanilino)ethanethiol?
The IUPAC name of 2-(5-methyl-2-propoxyanilino)ethanethiol (CID 83961741) is 2-(5-methyl-2-propoxyanilino)ethanethiol.
What is the SMILES notation for 2-(5-methyl-2-propoxyanilino)ethanethiol?
The canonical SMILES for 2-(5-methyl-2-propoxyanilino)ethanethiol is CCCOc1ccc(C)cc1NCCS.
What is the InChIKey of 2-(5-methyl-2-propoxyanilino)ethanethiol?
The InChIKey is AWXDQDHOSSCPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-7-14-12-5-4-10(2)9-11(12)13-6-8-15/h4-5,9,13,15H,3,6-8H2,1-2H3.
What are the key properties of 2-(5-methyl-2-propoxyanilino)ethanethiol?
2-(5-methyl-2-propoxyanilino)ethanethiol has a molecular weight of 225.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propoxyanilino)ethanethiol is sourced from PubChem (CID 83961741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).