2-benzhydrylsulfanylethanamine;hydrochloride

C15H18ClNS — CID 13267783

IUPAC2-benzhydrylsulfanylethanamine;hydrochloride
SMILESCl.NCCSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NS.ClH/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H
InChIKeyHVMJNOWTUHSJON-UHFFFAOYSA-N
MW279.84 g/mol
LogP3.89
Rot. Bonds5

About 2-benzhydrylsulfanylethanamine;hydrochloride

2-benzhydrylsulfanylethanamine;hydrochloride (PubChem CID 13267783) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 2-benzhydrylsulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name2-benzhydrylsulfanylethanamine;hydrochloride
PubChem CID13267783
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name2-benzhydrylsulfanylethanamine;hydrochloride
SMILESCl.NCCSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NS.ClH/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H
InChIKeyHVMJNOWTUHSJON-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanylethanamine;hydrochloride?
The IUPAC name of 2-benzhydrylsulfanylethanamine;hydrochloride (CID 13267783) is 2-benzhydrylsulfanylethanamine;hydrochloride.
What is the SMILES notation for 2-benzhydrylsulfanylethanamine;hydrochloride?
The canonical SMILES for 2-benzhydrylsulfanylethanamine;hydrochloride is Cl.NCCSC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfanylethanamine;hydrochloride?
The InChIKey is HVMJNOWTUHSJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS.ClH/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H.
What are the key properties of 2-benzhydrylsulfanylethanamine;hydrochloride?
2-benzhydrylsulfanylethanamine;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanylethanamine;hydrochloride is sourced from PubChem (CID 13267783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).