(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine

C12H13BrN2S — CID 105173000

IUPAC(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2sccc2Br)c(C)n1
InChIInChI=1S/C12H13BrN2S/c1-7-3-4-9(8(2)15-7)11(14)12-10(13)5-6-16-12/h3-6,11H,14H2,1-2H3
InChIKeyOQJZAYHYPFYPDA-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.57
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine

(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine (PubChem CID 105173000) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
PubChem CID105173000
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2sccc2Br)c(C)n1
InChIInChI=1S/C12H13BrN2S/c1-7-3-4-9(8(2)15-7)11(14)12-10(13)5-6-16-12/h3-6,11H,14H2,1-2H3
InChIKeyOQJZAYHYPFYPDA-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
CID 105173057
(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530329
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105182910
(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
CID 63798437
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 105172943
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine (CID 105173000) is (3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine is Cc1ccc(C(N)c2sccc2Br)c(C)n1.
What is the InChIKey of (3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine?
The InChIKey is OQJZAYHYPFYPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-7-3-4-9(8(2)15-7)11(14)12-10(13)5-6-16-12/h3-6,11H,14H2,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine?
(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine has a molecular weight of 297.22 g/mol, XLogP of 3.57, 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)-(2,6-dimethyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105173000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).