2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride

C9H14ClNOS — CID 154577314

IUPAC2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride
SMILESCl.NCc1ccc(SCCO)cc1
InChIInChI=1S/C9H13NOS.ClH/c10-7-8-1-3-9(4-2-8)12-6-5-11;/h1-4,11H,5-7,10H2;1H
InChIKeyFAHSKTDJDAUPTC-UHFFFAOYSA-N
MW219.74 g/mol
LogP1.65
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride

2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride (PubChem CID 154577314) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride
PubChem CID154577314
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride
SMILESCl.NCc1ccc(SCCO)cc1
InChIInChI=1S/C9H13NOS.ClH/c10-7-8-1-3-9(4-2-8)12-6-5-11;/h1-4,11H,5-7,10H2;1H
InChIKeyFAHSKTDJDAUPTC-UHFFFAOYSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride (CID 154577314) is 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride is Cl.NCc1ccc(SCCO)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride?
The InChIKey is FAHSKTDJDAUPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.ClH/c10-7-8-1-3-9(4-2-8)12-6-5-11;/h1-4,11H,5-7,10H2;1H.
What are the key properties of 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride?
2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]sulfanylethanol;hydrochloride is sourced from PubChem (CID 154577314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).