[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine

C16H16BrNOS — CID 79223776

IUPAC[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCC1CSc2ccccc21
InChIInChI=1S/C16H16BrNOS/c17-13-5-6-15(11(7-13)8-18)19-9-12-10-20-16-4-2-1-3-14(12)16/h1-7,12H,8-10,18H2
InChIKeyWIZFAONMRHKDHJ-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.18
Rot. Bonds4

About [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine

[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine (PubChem CID 79223776) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
PubChem CID79223776
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCC1CSc2ccccc21
InChIInChI=1S/C16H16BrNOS/c17-13-5-6-15(11(7-13)8-18)19-9-12-10-20-16-4-2-1-3-14(12)16/h1-7,12H,8-10,18H2
InChIKeyWIZFAONMRHKDHJ-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-chlorophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220792
(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 79215174
[3-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79224299
[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205890
2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine
CID 107700163
(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
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-bromophenyl]ethanamine
CID 66397004
[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylaniline
CID 79223773
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine (CID 79223776) is [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine is NCc1cc(Br)ccc1OCC1CSc2ccccc21.
What is the InChIKey of [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine?
The InChIKey is WIZFAONMRHKDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c17-13-5-6-15(11(7-13)8-18)19-9-12-10-20-16-4-2-1-3-14(12)16/h1-7,12H,8-10,18H2.
What are the key properties of [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine?
[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine has a molecular weight of 350.28 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 79223776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).