1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol

C13H19NOS — CID 168764187

IUPAC1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(C)C(O)c1ccc2c(c1)SCC2
InChIInChI=1S/C13H19NOS/c1-3-14-9(2)13(15)11-5-4-10-6-7-16-12(10)8-11/h4-5,8-9,13-15H,3,6-7H2,1-2H3
InChIKeyBUSCSQMLGYWEQS-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.37
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol

1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol (PubChem CID 168764187) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol
PubChem CID168764187
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(C)C(O)c1ccc2c(c1)SCC2
InChIInChI=1S/C13H19NOS/c1-3-14-9(2)13(15)11-5-4-10-6-7-16-12(10)8-11/h4-5,8-9,13-15H,3,6-7H2,1-2H3
InChIKeyBUSCSQMLGYWEQS-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trichloro-1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)butan-1-ol
CID 168764185
4,4-dichloro-3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylbutan-2-amine
CID 168763926
1-chloro-1-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylpropan-2-amine
CID 168764178
1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol
CID 105402863
4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide
CID 169439116
1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)-3-fluoropropan-1-one
CID 168764045
1,1-dichloro-3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylbut-3-en-2-amine
CID 168763849
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol
CID 117298054
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
2-(ethylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-ol
CID 112512326
1-(3,4-dihydro-2H-thiochromen-6-yl)-2-(octylamino)propan-1-ol;1-(3,4-dihydro-2H-thiochromen-6-yl)-2-(4-phenylbutylamino)propan-1-ol
CID 158106659

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol (CID 168764187) is 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol is CCNC(C)C(O)c1ccc2c(c1)SCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol?
The InChIKey is BUSCSQMLGYWEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-14-9(2)13(15)11-5-4-10-6-7-16-12(10)8-11/h4-5,8-9,13-15H,3,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol?
1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 168764187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).