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

C21H20ClNS — CID 57326475

IUPAC2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine
SMILESNCCSC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClNS/c22-20-13-7-12-19(16-20)21(24-15-14-23,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16H,14-15,23H2
InChIKeyPQVCIZQDFPORHR-UHFFFAOYSA-N
MW353.92 g/mol
LogP5.32
Rot. Bonds6

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

2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine (PubChem CID 57326475) has the molecular formula C21H20ClNS and a molecular weight of 353.92 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine
PubChem CID57326475
Molecular FormulaC21H20ClNS
Molecular Weight353.92 g/mol
Exact Mass353.10
IUPAC Name2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine
SMILESNCCSC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClNS/c22-20-13-7-12-19(16-20)21(24-15-14-23,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16H,14-15,23H2
InChIKeyPQVCIZQDFPORHR-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.92
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3-chlorophenyl)-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

Related Compounds

S-Tritylcysteamine
CID 262764
2-[Bis(4-chlorophenyl)methylsulfanyl]ethanamine
CID 11723014
2-(Diphenyl(P-Tolyl)Methylthio)Ethanamine
CID 57380880
2-(Phenyldip-Tolylmethylthio)Ethanamine
CID 71719943
3-(Tritylthio)propylamine
CID 24806228
4-[(Triphenylmethyl)sulfanyl]butan-1-amine
CID 24806229
2-[(3-Fluorophenyl)-diphenylmethyl]sulfanylethanamine
CID 57326384
2-[(3-Methylphenyl)-diphenylmethyl]sulfanylethanamine
CID 57326477
2-(((3-Ethylphenyl) diphenylmethyl)thio)ethan-1-amine
CID 57326478
2-[Diphenyl-(3-propylphenyl)methyl]sulfanylethanamine
CID 57326480
4-(3-Chlorophenyl)-4,4-diphenylbutan-1-amine
CID 57326677
2-((4-Ethylphenyl)Diphenylmethylthio)Ethanamine
CID 57380650

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine?
The IUPAC name of 2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine (CID 57326475) is 2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine.
What is the SMILES notation for 2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine?
The canonical SMILES for 2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine is NCCSC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine?
The InChIKey is PQVCIZQDFPORHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNS/c22-20-13-7-12-19(16-20)21(24-15-14-23,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16H,14-15,23H2.
What are the key properties of 2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine?
2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine has a molecular weight of 353.92 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)-diphenylmethyl]sulfanylethanamine is sourced from PubChem (CID 57326475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).