2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine

C22H23NS — CID 57326477

IUPAC2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine
SMILESCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H23NS/c1-18-9-8-14-21(17-18)22(24-16-15-23,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17H,15-16,23H2,1H3
InChIKeyDHIRQTHUNQENSZ-UHFFFAOYSA-N
MW333.50 g/mol
LogP4.98
Rot. Bonds6

About 2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine

2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine (PubChem CID 57326477) has the molecular formula C22H23NS and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine
PubChem CID57326477
Molecular FormulaC22H23NS
Molecular Weight333.50 g/mol
Exact Mass333.16
IUPAC Name2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine
SMILESCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H23NS/c1-18-9-8-14-21(17-18)22(24-16-15-23,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17H,15-16,23H2,1H3
InChIKeyDHIRQTHUNQENSZ-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[(3-methylphenyl)-diphenylmethyl]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-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine?
The IUPAC name of 2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine (CID 57326477) is 2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine.
What is the SMILES notation for 2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine?
The canonical SMILES for 2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine is Cc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine?
The InChIKey is DHIRQTHUNQENSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NS/c1-18-9-8-14-21(17-18)22(24-16-15-23,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17H,15-16,23H2,1H3.
What are the key properties of 2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine?
2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine has a molecular weight of 333.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)-diphenylmethyl]sulfanylethanamine is sourced from PubChem (CID 57326477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).