2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride

C14H18ClNOS — CID 6473033

IUPAC2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride
SMILESCc1ccsc1CNCC(O)c1ccccc1.Cl
InChIInChI=1S/C14H17NOS.ClH/c1-11-7-8-17-14(11)10-15-9-13(16)12-5-3-2-4-6-12;/h2-8,13,15-16H,9-10H2,1H3;1H
InChIKeyIJKPGFWVMFGSJY-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.30
Rot. Bonds5

About 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride

2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride (PubChem CID 6473033) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride
PubChem CID6473033
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride
SMILESCc1ccsc1CNCC(O)c1ccccc1.Cl
InChIInChI=1S/C14H17NOS.ClH/c1-11-7-8-17-14(11)10-15-9-13(16)12-5-3-2-4-6-12;/h2-8,13,15-16H,9-10H2,1H3;1H
InChIKeyIJKPGFWVMFGSJY-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride (CID 6473033) is 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride is Cc1ccsc1CNCC(O)c1ccccc1.Cl.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is IJKPGFWVMFGSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS.ClH/c1-11-7-8-17-14(11)10-15-9-13(16)12-5-3-2-4-6-12;/h2-8,13,15-16H,9-10H2,1H3;1H.
What are the key properties of 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride?
2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 6473033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).