[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine

C12H12BrNOS — CID 61389559

IUPAC[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(Br)c1OCc1cccs1
InChIInChI=1S/C12H12BrNOS/c13-11-5-1-3-9(7-14)12(11)15-8-10-4-2-6-16-10/h1-6H,7-8,14H2
InChIKeyMMOZVLORCWCZSA-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.55
Rot. Bonds4

About [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine

[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine (PubChem CID 61389559) has the molecular formula C12H12BrNOS and a molecular weight of 298.20 g/mol. Its IUPAC name is [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine
PubChem CID61389559
Molecular FormulaC12H12BrNOS
Molecular Weight298.20 g/mol
Exact Mass296.98
IUPAC Name[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(Br)c1OCc1cccs1
InChIInChI=1S/C12H12BrNOS/c13-11-5-1-3-9(7-14)12(11)15-8-10-4-2-6-16-10/h1-6H,7-8,14H2
InChIKeyMMOZVLORCWCZSA-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 61391970
N-[[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63060308
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262960
N-[[3-bromo-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63774723
[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
CID 61389794
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine (CID 61389559) is [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine is NCc1cccc(Br)c1OCc1cccs1.
What is the InChIKey of [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine?
The InChIKey is MMOZVLORCWCZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c13-11-5-1-3-9(7-14)12(11)15-8-10-4-2-6-16-10/h1-6H,7-8,14H2.
What are the key properties of [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine?
[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine has a molecular weight of 298.20 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 61389559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).