(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine

C11H9Br2NS — CID 61104167

IUPAC(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)c1ccccc1Br
InChIInChI=1S/C11H9Br2NS/c12-8-4-2-1-3-7(8)11(14)9-5-6-10(13)15-9/h1-6,11H,14H2
InChIKeyZSNNUBZQBDPEEP-UHFFFAOYSA-N
MW347.08 g/mol
LogP4.32
Rot. Bonds2

About (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine

(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine (PubChem CID 61104167) has the molecular formula C11H9Br2NS and a molecular weight of 347.08 g/mol. Its IUPAC name is (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
PubChem CID61104167
Molecular FormulaC11H9Br2NS
Molecular Weight347.08 g/mol
Exact Mass344.88
IUPAC Name(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)c1ccccc1Br
InChIInChI=1S/C11H9Br2NS/c12-8-4-2-1-3-7(8)11(14)9-5-6-10(13)15-9/h1-6,11H,14H2
InChIKeyZSNNUBZQBDPEEP-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

(2-bromo-4-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107987471
(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 61102058
(1R)-1-(2-bromophenyl)-N-[1-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 81378370
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104169
(5-bromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 43464242
(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine
CID 61102813
(2-bromophenyl)methanediamine
CID 22286781
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine?
The IUPAC name of (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine (CID 61104167) is (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine?
The canonical SMILES for (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine is NC(c1ccc(Br)s1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine?
The InChIKey is ZSNNUBZQBDPEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NS/c12-8-4-2-1-3-7(8)11(14)9-5-6-10(13)15-9/h1-6,11H,14H2.
What are the key properties of (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine?
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine 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 (2-bromophenyl)-(5-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 61104167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).