2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine

C24H27NS — CID 57326480

IUPAC2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine
SMILESCCCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27NS/c1-2-10-20-11-9-16-23(19-20)24(26-18-17-25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-9,11-16,19H,2,10,17-18,25H2,1H3
InChIKeyYCFSKQRZJMJUPV-UHFFFAOYSA-N
MW361.55 g/mol
LogP5.62
Rot. Bonds8

About 2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine

2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine (PubChem CID 57326480) has the molecular formula C24H27NS and a molecular weight of 361.55 g/mol. Its IUPAC name is 2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine
PubChem CID57326480
Molecular FormulaC24H27NS
Molecular Weight361.55 g/mol
Exact Mass361.19
IUPAC Name2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine
SMILESCCCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27NS/c1-2-10-20-11-9-16-23(19-20)24(26-18-17-25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-9,11-16,19H,2,10,17-18,25H2,1H3
InChIKeyYCFSKQRZJMJUPV-UHFFFAOYSA-N
XLogP5.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.55
LogP ≤ 55.62
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-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine?
The IUPAC name of 2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine (CID 57326480) is 2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine.
What is the SMILES notation for 2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine?
The canonical SMILES for 2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine is CCCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine?
The InChIKey is YCFSKQRZJMJUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NS/c1-2-10-20-11-9-16-23(19-20)24(26-18-17-25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-9,11-16,19H,2,10,17-18,25H2,1H3.
What are the key properties of 2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine?
2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine has a molecular weight of 361.55 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenyl-(3-propylphenyl)methyl]sulfanylethanamine is sourced from PubChem (CID 57326480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).