2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol

C11H9Br2NOS — CID 131274072

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol
SMILESN[C@@H](c1cccs1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H9Br2NOS/c12-6-4-7(11(15)8(13)5-6)10(14)9-2-1-3-16-9/h1-5,10,15H,14H2/t10-/m1/s1
InChIKeyITLWYBRNOPKWRY-SNVBAGLBSA-N
MW363.07 g/mol
LogP4.03
Rot. Bonds2

About 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol

2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol (PubChem CID 131274072) has the molecular formula C11H9Br2NOS and a molecular weight of 363.07 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol
PubChem CID131274072
Molecular FormulaC11H9Br2NOS
Molecular Weight363.07 g/mol
Exact Mass360.88
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol
SMILESN[C@@H](c1cccs1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H9Br2NOS/c12-6-4-7(11(15)8(13)5-6)10(14)9-2-1-3-16-9/h1-5,10,15H,14H2/t10-/m1/s1
InChIKeyITLWYBRNOPKWRY-SNVBAGLBSA-N
XLogP4.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.07
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(R)-amino(thiophen-2-yl)methyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171232515
6-[(S)-amino(thiophen-2-yl)methyl]-4-bromo-2,3-difluorophenol
CID 171257937
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171204986
2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol
CID 171254508
2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride
CID 171235519
3-[(S)-amino(thiophen-2-yl)methyl]-5-fluoro-4-hydroxybenzonitrile
CID 171257764
2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol
CID 131418873
(R)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethanamine
CID 131608140
2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253754
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257098

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol (CID 131274072) is 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol is N[C@@H](c1cccs1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol?
The InChIKey is ITLWYBRNOPKWRY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H9Br2NOS/c12-6-4-7(11(15)8(13)5-6)10(14)9-2-1-3-16-9/h1-5,10,15H,14H2/t10-/m1/s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol?
2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol has a molecular weight of 363.07 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol is sourced from PubChem (CID 131274072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).