2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride

C14H20ClNOS — CID 15945609

IUPAC2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride
SMILESCCN(CCO)Cc1csc2cc(C)ccc12.Cl
InChIInChI=1S/C14H19NOS.ClH/c1-3-15(6-7-16)9-12-10-17-14-8-11(2)4-5-13(12)14;/h4-5,8,10,16H,3,6-7,9H2,1-2H3;1H
InChIKeyVVKQFDOGEHOSTA-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.45
Rot. Bonds5

About 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride

2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride (PubChem CID 15945609) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride
PubChem CID15945609
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride
SMILESCCN(CCO)Cc1csc2cc(C)ccc12.Cl
InChIInChI=1S/C14H19NOS.ClH/c1-3-15(6-7-16)9-12-10-17-14-8-11(2)4-5-13(12)14;/h4-5,8,10,16H,3,6-7,9H2,1-2H3;1H
InChIKeyVVKQFDOGEHOSTA-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-(N-((5-bromobenzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
CID 202061
Ethanol, 2-(N-((5-chlorobenzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
CID 202037
Ethanol, 2-(N-((benzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
CID 202059
2-[(1-Benzothien-3-ylmethyl)(2-hydroxyethyl)amino]ethanol
CID 15945608
CID 15945777
CID 15945777
Pinacol 5-{[bis(2-hydroxyethyl)amino]methyl}benzo[b]thiophen-2-ylboronate
CID 23655488
3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767747
2-[[(5-Bromo-1-benzothien-3-yl)methyl](methyl)amino]ethanol
CID 11948737
2-[(7-Bromo-1-benzothiophen-3-yl)methyl-ethylamino]ethanol;hydrochloride
CID 11957119
CID 11958376
CID 11958376
CID 15945014
CID 15945014
Ethanol, 2-(N-ethyl-N-((5-methylbenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
CID 23788

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride (CID 15945609) is 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride is CCN(CCO)Cc1csc2cc(C)ccc12.Cl.
What is the InChIKey of 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride?
The InChIKey is VVKQFDOGEHOSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS.ClH/c1-3-15(6-7-16)9-12-10-17-14-8-11(2)4-5-13(12)14;/h4-5,8,10,16H,3,6-7,9H2,1-2H3;1H.
What are the key properties of 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride?
2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride has a molecular weight of 285.84 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride is sourced from PubChem (CID 15945609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).