(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol

C14H23NOS — CID 103922417

IUPAC(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H23NOS/c1-3-12(9-16)15-10(2)14-8-11-6-4-5-7-13(11)17-14/h8,10,12,15-16H,3-7,9H2,1-2H3/t10?,12-/m1/s1
InChIKeyLFZDAHDDULGZRB-TVKKRMFBSA-N
MW253.41 g/mol
LogP3.05
Rot. Bonds5

About (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol

(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol (PubChem CID 103922417) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
PubChem CID103922417
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H23NOS/c1-3-12(9-16)15-10(2)14-8-11-6-4-5-7-13(11)17-14/h8,10,12,15-16H,3-7,9H2,1-2H3/t10?,12-/m1/s1
InChIKeyLFZDAHDDULGZRB-TVKKRMFBSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol
CID 103922540
4-methoxy-3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 103785453
1-N,1-N-dimethyl-2-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propane-1,2-diamine
CID 82945568
1-methoxy-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propan-2-amine
CID 81301050
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721776
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]ethanol
CID 81302192
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 43207232
3-[2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781932
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
N-(1-hydroxybutan-2-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43390395
2,2-difluoro-3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 104860583
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]butan-1-amine
CID 115704845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol (CID 103922417) is (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol is CC[C@H](CO)NC(C)c1cc2c(s1)CCCC2.
What is the InChIKey of (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol?
The InChIKey is LFZDAHDDULGZRB-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-12(9-16)15-10(2)14-8-11-6-4-5-7-13(11)17-14/h8,10,12,15-16H,3-7,9H2,1-2H3/t10?,12-/m1/s1.
What are the key properties of (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol?
(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 103922417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).