2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride

C16H21ClN2S — CID 23620363

IUPAC2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
SMILESCl.NCC(SC(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2S.ClH/c17-11-15(13-7-3-1-4-8-13)19-16(12-18)14-9-5-2-6-10-14;/h1-10,15-16H,11-12,17-18H2;1H
InChIKeyIRMLUDUIIKCMLP-UHFFFAOYSA-N
MW308.88 g/mol
LogP3.54
Rot. Bonds6

About 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride

2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride (PubChem CID 23620363) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
PubChem CID23620363
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC Name2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
SMILESCl.NCC(SC(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2S.ClH/c17-11-15(13-7-3-1-4-8-13)19-16(12-18)14-9-5-2-6-10-14;/h1-10,15-16H,11-12,17-18H2;1H
InChIKeyIRMLUDUIIKCMLP-UHFFFAOYSA-N
XLogP3.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride 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

2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174
3,3-diphenylpropane-1,2-diamine;dihydrochloride
CID 141351446
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017038
2-(1H-imidazol-2-ylsulfanyl)-2-phenylethanamine
CID 107779655
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
diphenylmethanolate
CID 57466266
2-phenylbut-3-en-1-amine;hydrochloride
CID 23037991
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017219
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
CID 106922000

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride?
The IUPAC name of 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride (CID 23620363) is 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride is Cl.NCC(SC(CN)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride?
The InChIKey is IRMLUDUIIKCMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S.ClH/c17-11-15(13-7-3-1-4-8-13)19-16(12-18)14-9-5-2-6-10-14;/h1-10,15-16H,11-12,17-18H2;1H.
What are the key properties of 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride?
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride has a molecular weight of 308.88 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 23620363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).