1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol

C12H17NOS — CID 79220843

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
SMILESCC(O)CNCC1CSc2ccccc21
InChIInChI=1S/C12H17NOS/c1-9(14)6-13-7-10-8-15-12-5-3-2-4-11(10)12/h2-5,9-10,13-14H,6-8H2,1H3
InChIKeyGARXTRZSUOANII-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.85
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol

1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol (PubChem CID 79220843) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
PubChem CID79220843
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
SMILESCC(O)CNCC1CSc2ccccc21
InChIInChI=1S/C12H17NOS/c1-9(14)6-13-7-10-8-15-12-5-3-2-4-11(10)12/h2-5,9-10,13-14H,6-8H2,1H3
InChIKeyGARXTRZSUOANII-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine
CID 104591357
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)butan-1-amine
CID 79226615
(2R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propan-2-ol
CID 106932270
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methoxypropan-1-amine
CID 79226059
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-methylhexan-1-amine
CID 113287462
2-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-N-ethylpropane-1,2-diamine
CID 113407264
5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
CID 79225995
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-1-ol
CID 79220922

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol (CID 79220843) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol is CC(O)CNCC1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol?
The InChIKey is GARXTRZSUOANII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(14)6-13-7-10-8-15-12-5-3-2-4-11(10)12/h2-5,9-10,13-14H,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol?
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol has a molecular weight of 223.34 g/mol, XLogP of 1.85, 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-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 79220843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).