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

C16H20N2S — CID 23620364

IUPAC2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
SMILESNCC(SC(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2S/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
InChIKeyLHFPTPNOJLEGKT-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.12
Rot. Bonds6

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

2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine (PubChem CID 23620364) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
PubChem CID23620364
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
SMILESNCC(SC(CN)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2S/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
InChIKeyLHFPTPNOJLEGKT-UHFFFAOYSA-N
XLogP3.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine?
The IUPAC name of 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine (CID 23620364) is 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine.
What is the SMILES notation for 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine?
The canonical SMILES for 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine is NCC(SC(CN)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine?
The InChIKey is LHFPTPNOJLEGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/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.
What are the key properties of 2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine?
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.12, 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 is sourced from PubChem (CID 23620364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).