(3,5-dibromophenyl)-thiophen-2-ylmethanamine

C11H9Br2NS — CID 107973859

IUPAC(3,5-dibromophenyl)-thiophen-2-ylmethanamine
SMILESNC(c1cc(Br)cc(Br)c1)c1cccs1
InChIInChI=1S/C11H9Br2NS/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10/h1-6,11H,14H2
InChIKeyOBZLCQNOGIRYIR-UHFFFAOYSA-N
MW347.08 g/mol
LogP4.32
Rot. Bonds2

About (3,5-dibromophenyl)-thiophen-2-ylmethanamine

(3,5-dibromophenyl)-thiophen-2-ylmethanamine (PubChem CID 107973859) has the molecular formula C11H9Br2NS and a molecular weight of 347.08 g/mol. Its IUPAC name is (3,5-dibromophenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-thiophen-2-ylmethanamine
PubChem CID107973859
Molecular FormulaC11H9Br2NS
Molecular Weight347.08 g/mol
Exact Mass344.88
IUPAC Name(3,5-dibromophenyl)-thiophen-2-ylmethanamine
SMILESNC(c1cc(Br)cc(Br)c1)c1cccs1
InChIInChI=1S/C11H9Br2NS/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10/h1-6,11H,14H2
InChIKeyOBZLCQNOGIRYIR-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.08
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223526
(R)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethanamine
CID 131608140
(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
CID 171221826
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
CID 131297133
2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol
CID 131274072
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171204986

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (3,5-dibromophenyl)-thiophen-2-ylmethanamine (CID 107973859) is (3,5-dibromophenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (3,5-dibromophenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (3,5-dibromophenyl)-thiophen-2-ylmethanamine is NC(c1cc(Br)cc(Br)c1)c1cccs1.
What is the InChIKey of (3,5-dibromophenyl)-thiophen-2-ylmethanamine?
The InChIKey is OBZLCQNOGIRYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NS/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10/h1-6,11H,14H2.
What are the key properties of (3,5-dibromophenyl)-thiophen-2-ylmethanamine?
(3,5-dibromophenyl)-thiophen-2-ylmethanamine has a molecular weight of 347.08 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 107973859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).