2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

C10H14ClNOS — CID 84795152

IUPAC2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESNCC(O)c1sc2c(c1Cl)CCCC2
InChIInChI=1S/C10H14ClNOS/c11-9-6-3-1-2-4-8(6)14-10(9)7(13)5-12/h7,13H,1-5,12H2
InChIKeySFSDAGCSQPZYSO-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.27
Rot. Bonds2

About 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (PubChem CID 84795152) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
PubChem CID84795152
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESNCC(O)c1sc2c(c1Cl)CCCC2
InChIInChI=1S/C10H14ClNOS/c11-9-6-3-1-2-4-8(6)14-10(9)7(13)5-12/h7,13H,1-5,12H2
InChIKeySFSDAGCSQPZYSO-UHFFFAOYSA-N
XLogP2.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 84766581
(1S)-2-amino-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
CID 82670663
2-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetic acid
CID 84794083
1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-one
CID 84792488
2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine
CID 142603261
3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 145481792
2-butan-2-yl-3-fluoro-4,5,6,7-tetrahydro-1-benzothiophene
CID 143781055
(2-bromo-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl)methanamine
CID 114748647
3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 155737642
8-chloro-1,2,3,4-tetrahydrodibenzothiophene
CID 54320978
(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 96777587
2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol
CID 84666344

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (CID 84795152) is 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is NCC(O)c1sc2c(c1Cl)CCCC2.
What is the InChIKey of 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is SFSDAGCSQPZYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-9-6-3-1-2-4-8(6)14-10(9)7(13)5-12/h7,13H,1-5,12H2.
What are the key properties of 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 231.75 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 84795152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).