2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine

C22H23NS — CID 57380880

IUPAC2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine
SMILESCc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NS/c1-18-12-14-21(15-13-18)22(24-17-16-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17,23H2,1H3
InChIKeyOWQZSPCKUCPBPY-UHFFFAOYSA-N
MW333.50 g/mol
LogP4.98
Rot. Bonds6

About 2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine

2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine (PubChem CID 57380880) has the molecular formula C22H23NS and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine
PubChem CID57380880
Molecular FormulaC22H23NS
Molecular Weight333.50 g/mol
Exact Mass333.16
IUPAC Name2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine
SMILESCc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NS/c1-18-12-14-21(15-13-18)22(24-17-16-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17,23H2,1H3
InChIKeyOWQZSPCKUCPBPY-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine?
The IUPAC name of 2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine (CID 57380880) is 2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine.
What is the SMILES notation for 2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine?
The canonical SMILES for 2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine is Cc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine?
The InChIKey is OWQZSPCKUCPBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NS/c1-18-12-14-21(15-13-18)22(24-17-16-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17,23H2,1H3.
What are the key properties of 2-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine?
2-[(4-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-[(4-methylphenyl)-diphenylmethyl]sulfanylethanamine is sourced from PubChem (CID 57380880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).