(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine

C17H19NOS — CID 79223193

IUPAC(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H19NOS/c1-12(18)14-6-2-4-8-16(14)19-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,12-13H,10-11,18H2,1H3/t12-,13?/m0/s1
InChIKeyNDGSVPKHNRWYMV-UEWDXFNNSA-N
MW285.41 g/mol
LogP3.97
Rot. Bonds4

About (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine

(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine (PubChem CID 79223193) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
PubChem CID79223193
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H19NOS/c1-12(18)14-6-2-4-8-16(14)19-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,12-13H,10-11,18H2,1H3/t12-,13?/m0/s1
InChIKeyNDGSVPKHNRWYMV-UEWDXFNNSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716339
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
CID 79215568
(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 79215174
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylaniline
CID 79223773
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol
CID 79215081
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 102949246
[3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205776
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
3-[(4-ethyl-2-methoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 107667679

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine (CID 79223193) is (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine is C[C@H](N)c1ccccc1OCC1CSc2ccccc21.
What is the InChIKey of (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is NDGSVPKHNRWYMV-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12(18)14-6-2-4-8-16(14)19-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,12-13H,10-11,18H2,1H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine?
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 79223193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).