1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine

C14H19NOS — CID 105116551

IUPAC1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)Cc1csc2ccccc12
InChIInChI=1S/C14H19NOS/c1-10(2)16-8-12(15)7-11-9-17-14-6-4-3-5-13(11)14/h3-6,9-10,12H,7-8,15H2,1-2H3
InChIKeyBSCXYTMVGCNQNA-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.20
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine

1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105116551) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
PubChem CID105116551
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)Cc1csc2ccccc12
InChIInChI=1S/C14H19NOS/c1-10(2)16-8-12(15)7-11-9-17-14-6-4-3-5-13(11)14/h3-6,9-10,12H,7-8,15H2,1-2H3
InChIKeyBSCXYTMVGCNQNA-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135783
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474741
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420
1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
CID 63737079
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine (CID 105116551) is 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine is CC(C)OCC(N)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is BSCXYTMVGCNQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10(2)16-8-12(15)7-11-9-17-14-6-4-3-5-13(11)14/h3-6,9-10,12H,7-8,15H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine?
1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105116551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).