2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine

C16H19NOS — CID 39372817

IUPAC2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine
SMILESCOc1ccc(-c2ccc(SCCN)cc2)c(C)c1
InChIInChI=1S/C16H19NOS/c1-12-11-14(18-2)5-8-16(12)13-3-6-15(7-4-13)19-10-9-17/h3-8,11H,9-10,17H2,1-2H3
InChIKeyQUZYZFFYMTXRSM-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.72
Rot. Bonds5

About 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine

2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine (PubChem CID 39372817) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine
PubChem CID39372817
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine
SMILESCOc1ccc(-c2ccc(SCCN)cc2)c(C)c1
InChIInChI=1S/C16H19NOS/c1-12-11-14(18-2)5-8-16(12)13-3-6-15(7-4-13)19-10-9-17/h3-8,11H,9-10,17H2,1-2H3
InChIKeyQUZYZFFYMTXRSM-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine?
The IUPAC name of 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine (CID 39372817) is 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine.
What is the SMILES notation for 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine?
The canonical SMILES for 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine is COc1ccc(-c2ccc(SCCN)cc2)c(C)c1.
What is the InChIKey of 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine?
The InChIKey is QUZYZFFYMTXRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12-11-14(18-2)5-8-16(12)13-3-6-15(7-4-13)19-10-9-17/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine?
2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2-methylphenyl)phenyl]sulfanylethanamine is sourced from PubChem (CID 39372817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).