2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine

C12H17NOS — CID 83910921

IUPAC2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
SMILESCOc1ccc2c(c1)SCC2C(C)CN
InChIInChI=1S/C12H17NOS/c1-8(6-13)11-7-15-12-5-9(14-2)3-4-10(11)12/h3-5,8,11H,6-7,13H2,1-2H3
InChIKeyKEVYHLPKQODDEV-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.48
Rot. Bonds3

About 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine

2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine (PubChem CID 83910921) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
PubChem CID83910921
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
SMILESCOc1ccc2c(c1)SCC2C(C)CN
InChIInChI=1S/C12H17NOS/c1-8(6-13)11-7-15-12-5-9(14-2)3-4-10(11)12/h3-5,8,11H,6-7,13H2,1-2H3
InChIKeyKEVYHLPKQODDEV-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83912483
2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83911362
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83912486
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105151013
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291549
[4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol
CID 23537988
[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105286232
(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545491
3-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117202458
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995657

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
The IUPAC name of 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine (CID 83910921) is 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
The canonical SMILES for 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine is COc1ccc2c(c1)SCC2C(C)CN.
What is the InChIKey of 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
The InChIKey is KEVYHLPKQODDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8(6-13)11-7-15-12-5-9(14-2)3-4-10(11)12/h3-5,8,11H,6-7,13H2,1-2H3.
What are the key properties of 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 83910921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).