(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine

C9H7Br2NS2 — CID 105010950

IUPAC(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
SMILESNC(c1cscc1Br)c1sccc1Br
InChIInChI=1S/C9H7Br2NS2/c10-6-1-2-14-9(6)8(12)5-3-13-4-7(5)11/h1-4,8H,12H2
InChIKeyNNHWGCJBJVBCLI-UHFFFAOYSA-N
MW353.10 g/mol
LogP4.38
Rot. Bonds2

About (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine

(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine (PubChem CID 105010950) has the molecular formula C9H7Br2NS2 and a molecular weight of 353.10 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
PubChem CID105010950
Molecular FormulaC9H7Br2NS2
Molecular Weight353.10 g/mol
Exact Mass350.84
IUPAC Name(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
SMILESNC(c1cscc1Br)c1sccc1Br
InChIInChI=1S/C9H7Br2NS2/c10-6-1-2-14-9(6)8(12)5-3-13-4-7(5)11/h1-4,8H,12H2
InChIKeyNNHWGCJBJVBCLI-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.10
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
CID 63798437
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105173000
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine
CID 105172942
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine
CID 107946337
(4-bromothiophen-3-yl)-(4-methylphenyl)methanamine
CID 79594983

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine (CID 105010950) is (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine is NC(c1cscc1Br)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine?
The InChIKey is NNHWGCJBJVBCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2NS2/c10-6-1-2-14-9(6)8(12)5-3-13-4-7(5)11/h1-4,8H,12H2.
What are the key properties of (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine?
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine has a molecular weight of 353.10 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine is sourced from PubChem (CID 105010950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).